(2R)-2-(4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: (2R)-2-(4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: (2R)-N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-ethyl-7-methyl-2-oxo-chromen-5-yl)oxy-propanamide CAS Name: (2R)-2-[(4-ethyl-7-methyl-2-oxo-1-benzopyran-5-yl)oxy]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxypropanamide Traditional Name: (2R)-N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-ethyl-2-keto-7-methyl-chromen-5-yl)oxy-propionamide Formula: C27H33N2O4+ MolecularWeight: 449.56192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)O[C@H](C)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O4/c1-4-21-16-25(30)33-24-15-18(2)14-23(26(21)24)32-19(3)27(31)28-22-10-12-29(13-11-22)17-20-8-6-5-7-9-20/h5-9,14-16,19,22H,4,10-13,17H2,1-3H3,(H,28,31)/p+1/t19-/m1/s1