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

Systemtic Name: 4-(2,5-dimethylthiophen-3-yl)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxidanylidene-butanamide Openeye Name: 4-(2,5-dimethyl-3-thienyl)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxo-butanamide CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-N-[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-oxobutanamide IUPAC Name: 4-(2,5-dimethylthiophen-3-yl)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxobutanamide Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]butyramide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-15-13-18(5-6-20(15)25-11-9-24(4)10-12-25)23-22(27)8-7-21(26)19-14-16(2)28-17(19)3/h5-6,13-14H,7-12H2,1-4H3,(H,23,27)/p+1