N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H26N4OS/c1-16-6-2-4-8-19(16)26-12-10-25(11-13-26)15-21(27)24-22-18(14-23)17-7-3-5-9-20(17)28-22/h2,4,6,8H,3,5,7,9-13,15H2,1H3,(H,24,27)/p+1