N-[3-(2-methylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(2-methylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(2-methylbenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-[(2-methylphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[3-(2-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-o-toluoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C28H32N3O2S+ MolecularWeight: 474.63758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=C(SC3=C2CCCC3)NC(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=C(SC3=C2CCCC3)NC(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O2S/c1-20-9-5-6-12-22(20)27(33)26-23-13-7-8-14-24(23)34-28(26)29-25(32)19-30-15-17-31(18-16-30)21-10-3-2-4-11-21/h2-6,9-12H,7-8,13-19H2,1H3,(H,29,32)/p+1