ethyl (Z)-3-phenyl-3-piperidin-1-ium-4-yl-prop-2-enoate

Systemtic Name: ethyl (Z)-3-phenyl-3-piperidin-1-ium-4-yl-prop-2-enoate Openeye Name: ethyl (Z)-3-phenyl-3-piperidin-1-ium-4-yl-prop-2-enoate CAS Name: (Z)-3-phenyl-3-(4-piperidin-1-iumyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-phenyl-3-piperidin-1-ium-4-ylprop-2-enoate Traditional Name: (Z)-3-phenyl-3-piperidin-1-ium-4-yl-acrylic acid ethyl ester Formula: C16H22NO2+ MolecularWeight: 260.35138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C1CC[NH2+]CC1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C(/C1CC[NH2+]CC1)\C2=CC=CC=C2

InChI

InChI=1S/C16H21NO2/c1-2-19-16(18)12-15(13-6-4-3-5-7-13)14-8-10-17-11-9-14/h3-7,12,14,17H,2,8-11H2,1H3/p+1/b15-12+