2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(2-ethoxyphenyl)ethanamide

Systemtic Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(2-ethoxyphenyl)ethanamide Openeye Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(2-ethoxyphenyl)acetamide CAS Name: 2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-1-iumyl]-N-(2-ethoxyphenyl)acetamide IUPAC Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(2-ethoxyphenyl)acetamide Traditional Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-o-phenetyl-acetamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O2S/c1-2-28-21-9-5-4-8-20(21)24-23(27)16-26-13-11-25(12-14-26)15-18-17-29-22-10-6-3-7-19(18)22/h3-10,17H,2,11-16H2,1H3,(H,24,27)/p+1