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

Systemtic Name: N-butyl-1-[(3-methylphenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-butyl-1-(m-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-[(3-methylphenyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-butyl-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-butyl-1-(3-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C25H35N2O+ MolecularWeight: 379.5582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O/c1-3-4-15-27(20-22-10-6-5-7-11-22)25(28)24-13-16-26(17-14-24)19-23-12-8-9-21(2)18-23/h5-12,18,24H,3-4,13-17,19-20H2,1-2H3/p+1