3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)-N-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl]propanamide

Systemtic Name: 3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)-N-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl]propanamide Openeye Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanamide CAS Name: 3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-N-[2-[1-(phenylmethyl)-4-piperidin-1-iumyl]ethyl]propanamide IUPAC Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide Traditional Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propionamide Formula: C27H33N2O4+ MolecularWeight: 449.56192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCCC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCCC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O4/c1-19-23-8-7-22(30)17-25(23)33-27(32)24(19)9-10-26(31)28-14-11-20-12-15-29(16-13-20)18-21-5-3-2-4-6-21/h2-8,17,20,30H,9-16,18H2,1H3,(H,28,31)/p+1