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

Systemtic Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-1-iumyl]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O2S/c1-27-19-8-6-18(7-9-19)23-22(26)15-25-12-10-24(11-13-25)14-17-16-28-21-5-3-2-4-20(17)21/h2-9,16H,10-15H2,1H3,(H,23,26)/p+1