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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H26N4O2S/c1-28-17-8-6-16(7-9-17)26-12-10-25(11-13-26)15-21(27)24-22-19(14-23)18-4-2-3-5-20(18)29-22/h6-9H,2-5,10-13,15H2,1H3,(H,24,27)/p+1