1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1-methyl-4-phenyl-piperidin-1-ium-4-carbonitrile

Systemtic Name: 1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1-methyl-4-phenyl-piperidin-1-ium-4-carbonitrile Openeye Name: 1-[2-(4-chlorophenyl)-2-oxo-ethyl]-1-methyl-4-phenyl-piperidin-1-ium-4-carbonitrile CAS Name: 1-[2-(4-chlorophenyl)-2-oxoethyl]-1-methyl-4-phenyl-4-piperidin-1-iumcarbonitrile IUPAC Name: 1-[2-(4-chlorophenyl)-2-oxoethyl]-1-methyl-4-phenylpiperidin-1-ium-4-carbonitrile Traditional Name: 1-[2-(4-chlorophenyl)-2-keto-ethyl]-1-methyl-4-phenyl-piperidin-1-ium-4-carbonitrile Formula: C21H22ClN2O+ MolecularWeight: 353.86518

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)(C#N)C2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[N+]1(CCC(CC1)(C#N)C2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN2O/c1-24(15-20(25)17-7-9-19(22)10-8-17)13-11-21(16-23,12-14-24)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3/q+1