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

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(4-tert-butylbenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-(4-tert-butylbenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C31H38N3O2S+ MolecularWeight: 516.71732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C31H37N3O2S/c1-31(2,3)23-15-13-22(14-16-23)29(36)28-25-11-7-8-12-26(25)37-30(28)32-27(35)21-33-17-19-34(20-18-33)24-9-5-4-6-10-24/h4-6,9-10,13-16H,7-8,11-12,17-21H2,1-3H3,(H,32,35)/p+1