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

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: 4-keto-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-(2-thienyl)butyramide Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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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=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N4O2S/c1-21-8-10-22(11-9-21)17-6-4-14(13-19-17)20-18(24)7-5-15(23)16-3-2-12-25-16/h2-4,6,12-13H,5,7-11H2,1H3,(H,20,24)/p+1