1-[(3-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-chlorophenyl)methyl]-N-isopentyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-chlorophenyl)methyl]-N-(3-methylbutyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-chlorobenzyl)-N-isoamyl-piperidin-1-ium-4-carboxamide Formula: C18H28ClN2O+ MolecularWeight: 323.88072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O/c1-14(2)6-9-20-18(22)16-7-10-21(11-8-16)13-15-4-3-5-17(19)12-15/h3-5,12,14,16H,6-11,13H2,1-2H3,(H,20,22)/p+1