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

Systemtic Name: 4-(5-chloranylthiophen-2-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxidanylidene-butanamide Openeye Name: 4-(5-chloro-2-thienyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-oxo-butanamide CAS Name: 4-(5-chloro-2-thiophenyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-oxobutanamide IUPAC Name: 4-(5-chlorothiophen-2-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxobutanamide Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]butyramide Formula: C18H22ClN4O2S+ MolecularWeight: 393.91088

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H21ClN4O2S/c1-22-8-10-23(11-9-22)17-6-2-13(12-20-17)21-18(25)7-3-14(24)15-4-5-16(19)26-15/h2,4-6,12H,3,7-11H2,1H3,(H,21,25)/p+1