4-(2,5-dimethylthiophen-3-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(2,5-dimethylthiophen-3-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxidanylidene-butanamide Openeye Name: 4-(2,5-dimethyl-3-thienyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-oxo-butanamide CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-oxobutanamide IUPAC Name: 4-(2,5-dimethylthiophen-3-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxobutanamide Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]butyramide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H26N4O2S/c1-14-12-17(15(2)27-14)18(25)5-7-20(26)22-16-4-6-19(21-13-16)24-10-8-23(3)9-11-24/h4,6,12-13H,5,7-11H2,1-3H3,(H,22,26)/p+1