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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-29-18-6-4-5-17(15-18)27-13-11-26(12-14-27)10-9-22(28)25-23-20(16-24)19-7-2-3-8-21(19)30-23/h4-6,15H,2-3,7-14H2,1H3,(H,25,28)/p+1