(2S)-2-[[(3R)-1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-piperidin-1-ium-3-yl]-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]amino]-3-(4-hydroxyphenyl)propanamide

Systemtic Name: (2S)-2-[[(3R)-1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-piperidin-1-ium-3-yl]-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]amino]-3-(4-hydroxyphenyl)propanamide Openeye Name: (2S)-2-[[(3R)-1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-piperidin-1-ium-3-yl]-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]amino]-3-(4-hydroxyphenyl)propanamide CAS Name: (2S)-2-[[(3R)-1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-piperidin-1-iumyl]-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)anilino]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanamide IUPAC Name: (2S)-2-[[(3R)-1-(1,3-benzodioxol-5-ylmethyl)-1-methylpiperidin-1-ium-3-yl]-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]amino]-3-(4-hydroxyphenyl)propanamide Traditional Name: (2S)-2-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl-[(3R)-1-methyl-1-piperonyl-piperidin-1-ium-3-yl]amino]-3-(4-hydroxyphenyl)propionamide Formula: C34H39N6O6+ MolecularWeight: 627.71006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NO1)C2=CC=C(C=C2)NC(=O)N(C3CCC[N+](C3)(C)CC4=CC5=C(C=C4)OCO5)C(CC6=CC=C(C=C6)O)C(=O)N

Isomeric SMILES

CCC1=NC(=NO1)C2=CC=C(C=C2)NC(=O)N([C@@H]3CCC[N+](C3)(C)CC4=CC5=C(C=C4)OCO5)[C@@H](CC6=CC=C(C=C6)O)C(=O)N

InChI

InChI=1S/C34H38N6O6/c1-3-31-37-33(38-46-31)24-9-11-25(12-10-24)36-34(43)39(28(32(35)42)17-22-6-13-27(41)14-7-22)26-5-4-16-40(2,20-26)19-23-8-15-29-30(18-23)45-21-44-29/h6-15,18,26,28H,3-5,16-17,19-21H2,1-2H3,(H3-,35,36,38,41,42,43)/p+1/t26-,28+,40?/m1/s1