2-cyclopropyl-6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-1-(thiophen-2-ylmethyl)pyridin-4-one

Systemtic Name: 2-cyclopropyl-6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-1-(thiophen-2-ylmethyl)pyridin-4-one Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-2-cyclopropyl-6-methyl-1-(2-thienylmethyl)pyridin-4-one CAS Name: 2-cyclopropyl-6-methyl-3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1-(thiophen-2-ylmethyl)-4-pyridinone IUPAC Name: 2-cyclopropyl-6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]-1-(thiophen-2-ylmethyl)pyridin-4-one Traditional Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-2-cyclopropyl-6-methyl-1-(2-thenyl)-4-pyridone Formula: C28H32N3O2S+ MolecularWeight: 474.63758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CC=CS2)C3CC3)C(=O)N4CC[NH+](CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC=CS2)C3CC3)C(=O)N4CC[NH+](CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O2S/c1-21-19-25(32)26(27(23-11-12-23)31(21)20-24-10-6-18-34-24)28(33)30-16-14-29(15-17-30)13-5-9-22-7-3-2-4-8-22/h2-10,18-19,23H,11-17,20H2,1H3/p+1/b9-5+