(E)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-3-(3,4,5-trimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-3-(3,4,5-trimethoxyphenyl)acrylamide Formula: C24H37N2O4+ MolecularWeight: 417.56158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)NCC2(CCCCC2)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NCC2(CCCCC2)[NH+]3CCCCC3

InChI

InChI=1S/C24H36N2O4/c1-28-20-16-19(17-21(29-2)23(20)30-3)10-11-22(27)25-18-24(12-6-4-7-13-24)26-14-8-5-9-15-26/h10-11,16-17H,4-9,12-15,18H2,1-3H3,(H,25,27)/p+1/b11-10+