N-butyl-1-[(2,3-dimethoxyphenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-butyl-1-[(2,3-dimethoxyphenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-butyl-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-[(2,3-dimethoxyphenyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-butyl-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-butyl-1-o-veratryl-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=C(C(=CC=C3)OC)OC

Isomeric SMILES

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

InChI

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