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

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: 4-keto-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(2-thienyl)butyramide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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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=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H25N3O2S/c1-15-14-16(23-11-9-22(2)10-12-23)5-6-17(15)21-20(25)8-7-18(24)19-4-3-13-26-19/h3-6,13-14H,7-12H2,1-2H3,(H,21,25)/p+1