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

Systemtic Name: N-butyl-N-methyl-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-carboxamide Openeye Name: N-butyl-N-methyl-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-carboxamide CAS Name: N-butyl-N-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-butyl-N-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-carboxamide Traditional Name: N-butyl-N-methyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O/c1-4-5-13-22(3)21(24)20-11-14-23(15-12-20)17-18(2)16-19-9-7-6-8-10-19/h6-10,16,20H,4-5,11-15,17H2,1-3H3/p+1/b18-16+