N-(3-methylbutyl)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-carboxamide Openeye Name: N-isopentyl-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-carboxamide CAS Name: N-(3-methylbutyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(3-methylbutyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-carboxamide Traditional Name: N-isoamyl-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-carboxamide Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O/c1-17(2)9-12-22-21(24)20-10-13-23(14-11-20)16-18(3)15-19-7-5-4-6-8-19/h4-8,15,17,20H,9-14,16H2,1-3H3,(H,22,24)/p+1/b18-15+