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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propionamide Formula: C24H31N4O2S+ MolecularWeight: 439.59354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CC[NH+]3CCN(CC3)CCOC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CC[NH+]3CCN(CC3)CCOC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H30N4O2S/c25-18-21-20-8-4-5-9-22(20)31-24(21)26-23(29)10-11-27-12-14-28(15-13-27)16-17-30-19-6-2-1-3-7-19/h1-3,6-7H,4-5,8-17H2,(H,26,29)/p+1