(3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-3-carboxamide Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC(=CC2=CC=CC=C2)C

Isomeric SMILES

CCN(CC)C(=O)[C@@H]1CCC[NH+](C1)C/C(=C/C2=CC=CC=C2)/C

InChI

InChI=1S/C20H30N2O/c1-4-22(5-2)20(23)19-12-9-13-21(16-19)15-17(3)14-18-10-7-6-8-11-18/h6-8,10-11,14,19H,4-5,9,12-13,15-16H2,1-3H3/p+1/b17-14+/t19-/m1/s1