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

Systemtic Name: 4-(5-chloranylthiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxidanylidene-butanamide Openeye Name: 4-(5-chloro-2-thienyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxo-butanamide CAS Name: 4-(5-chloro-2-thiophenyl)-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-oxobutanamide IUPAC Name: 4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxobutanamide Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]butyramide Formula: C20H25ClN3O2S+ MolecularWeight: 406.9494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H24ClN3O2S/c1-14-13-15(24-11-9-23(2)10-12-24)3-4-16(14)22-20(26)8-5-17(25)18-6-7-19(21)27-18/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,22,26)/p+1