N-(3-methylbutyl)-1-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-1-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-benzyl-N-isopentyl-piperidin-1-ium-4-carboxamide CAS Name: N-(3-methylbutyl)-1-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-benzyl-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-benzyl-N-isoamyl-piperidin-1-ium-4-carboxamide Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-15(2)8-11-19-18(21)17-9-12-20(13-10-17)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,19,21)/p+1