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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-29-18-8-6-17(7-9-18)27-14-12-26(13-15-27)11-10-22(28)25-23-20(16-24)19-4-2-3-5-21(19)30-23/h6-9H,2-5,10-15H2,1H3,(H,25,28)/p+1