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

Systemtic Name: 2-cyclopropyl-6-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1-(thiophen-2-ylmethyl)pyridin-4-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-cyclopropyl-6-methyl-1-(2-thienylmethyl)pyridin-4-one CAS Name: 2-cyclopropyl-6-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-(thiophen-2-ylmethyl)-4-pyridinone IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-cyclopropyl-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-cyclopropyl-6-methyl-1-(2-thenyl)-4-pyridone Formula: C26H30N3O2S+ MolecularWeight: 448.6003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O2S/c1-19-16-23(30)24(25(21-9-10-21)29(19)18-22-8-5-15-32-22)26(31)28-13-11-27(12-14-28)17-20-6-3-2-4-7-20/h2-8,15-16,21H,9-14,17-18H2,1H3/p+1