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

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-(5-methyl-2-thienyl)-4-oxo-butanamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-(5-methyl-2-thiophenyl)-4-oxobutanamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide Traditional Name: 4-keto-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-(5-methyl-2-thienyl)butyramide Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O2S/c1-14-3-6-17(26-14)16(24)5-8-19(25)21-15-4-7-18(20-13-15)23-11-9-22(2)10-12-23/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,21,25)/p+1