N-butyl-1-[(3-hydroxyphenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-butyl-1-[(3-hydroxyphenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-butyl-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-[(3-hydroxyphenyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-butyl-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-butyl-1-(3-hydroxybenzyl)piperidin-1-ium-4-carboxamide Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O2/c1-2-3-14-26(19-20-8-5-4-6-9-20)24(28)22-12-15-25(16-13-22)18-21-10-7-11-23(27)17-21/h4-11,17,22,27H,2-3,12-16,18-19H2,1H3/p+1