(E)-3-(4-cyanophenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(4-cyanophenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]prop-2-enamide Openeye Name: (E)-3-(4-cyanophenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]prop-2-enamide CAS Name: (E)-3-(4-cyanophenyl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-2-propenamide IUPAC Name: (E)-3-(4-cyanophenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]prop-2-enamide Traditional Name: (E)-3-(4-cyanophenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acrylamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C=CC2=CC=C(C=C2)C#N)[NH+]3CCCCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)/C=C/C2=CC=C(C=C2)C#N)[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3O/c23-17-20-9-7-19(8-10-20)11-12-21(26)24-18-22(13-3-1-4-14-22)25-15-5-2-6-16-25/h7-12H,1-6,13-16,18H2,(H,24,26)/p+1/b12-11+