(3S)-N,N-diethyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-3-carboxamide Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC=CC2=CC=CC=C2OC

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)C/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C20H30N2O2/c1-4-22(5-2)20(23)18-12-9-15-21(16-18)14-8-11-17-10-6-7-13-19(17)24-3/h6-8,10-11,13,18H,4-5,9,12,14-16H2,1-3H3/p+1/b11-8+/t18-/m0/s1