(2R)-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide CAS Name: (2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide Traditional Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)propionamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2/c1-15(21(27)23-18-7-8-19-20(14-18)25-22(28)24-19)26-11-9-17(10-12-26)13-16-5-3-2-4-6-16/h2-8,14-15,17H,9-13H2,1H3,(H,23,27)(H2,24,25,28)/p+1/t15-/m1/s1