N-butyl-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-butyl-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-butyl-1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-butyl-1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C25H35N2O3+ MolecularWeight: 411.557

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)O

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C25H34N2O3/c1-3-4-15-27(18-20-9-6-5-7-10-20)25(29)21-13-16-26(17-14-21)19-22-11-8-12-23(30-2)24(22)28/h5-12,21,28H,3-4,13-19H2,1-2H3/p+1