N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C18H23N5OS+2 MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C18H21N5OS/c1-13-14(2)25-18(15(13)11-19)21-17(24)12-22-7-9-23(10-8-22)16-5-3-4-6-20-16/h3-6H,7-10,12H2,1-2H3,(H,21,24)/p+2