N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C24H34N5OS+ MolecularWeight: 440.62466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CS3)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CS3)C4CCCCC4)C

InChI

InChI=1S/C24H33N5OS/c1-18-19(2)29(20-7-4-3-5-8-20)24(22(18)15-25)26-23(30)17-28-12-10-27(11-13-28)16-21-9-6-14-31-21/h6,9,14,20H,3-5,7-8,10-13,16-17H2,1-2H3,(H,26,30)/p+1