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

Systemtic Name: N-butyl-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-butyl-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-butyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-butyl-1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C26H37N2O3+ MolecularWeight: 425.58358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O3/c1-3-5-15-28(20-21-9-7-6-8-10-21)26(30)23-13-16-27(17-14-23)19-22-11-12-24(29)25(18-22)31-4-2/h6-12,18,23,29H,3-5,13-17,19-20H2,1-2H3/p+1