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

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4OS/c1-14-15(2)25-19(17(14)12-20)21-18(24)13-22-8-10-23(11-9-22)16-6-4-3-5-7-16/h3-7H,8-11,13H2,1-2H3,(H,21,24)/p+1