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

Systemtic Name: N-butyl-N-(phenylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-butyl-N-(phenylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-butyl-1-(2,3,4-trimethoxybenzyl)piperidin-1-ium-4-carboxamide Formula: C27H39N2O4+ MolecularWeight: 455.60956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O4/c1-5-6-16-29(19-21-10-8-7-9-11-21)27(30)22-14-17-28(18-15-22)20-23-12-13-24(31-2)26(33-4)25(23)32-3/h7-13,22H,5-6,14-20H2,1-4H3/p+1