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

Systemtic Name: N-butyl-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-butyl-1-(m-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-[(3-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-butyl-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-butyl-1-(3-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CC[NH+](CC1)CC2=CC=CC(=C2)C

Isomeric SMILES

CCCCNC(=O)C1CC[NH+](CC1)CC2=CC=CC(=C2)C

InChI

InChI=1S/C18H28N2O/c1-3-4-10-19-18(21)17-8-11-20(12-9-17)14-16-7-5-6-15(2)13-16/h5-7,13,17H,3-4,8-12,14H2,1-2H3,(H,19,21)/p+1