2-ethyl-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-ethyl-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-ethyl-6-methyl-1-(2-thienylmethyl)pyridin-4-one CAS Name: 2-ethyl-6-methyl-3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1-(thiophen-2-ylmethyl)-4-pyridinone IUPAC Name: 2-ethyl-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-ethyl-6-methyl-1-(2-thenyl)-4-pyridone Formula: C27H32N3O2S+ MolecularWeight: 462.62688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC2=CC=CS2)C)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC2=CC=CS2)C)C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2S/c1-3-24-26(25(31)19-21(2)30(24)20-23-12-8-18-33-23)27(32)29-16-14-28(15-17-29)13-7-11-22-9-5-4-6-10-22/h4-12,18-19H,3,13-17,20H2,1-2H3/p+1/b11-7+