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

Systemtic Name: N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C27H30N3O2S+ MolecularWeight: 460.611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2S/c31-24(19-29-15-17-30(18-16-29)21-11-5-2-6-12-21)28-27-25(22-13-7-8-14-23(22)33-27)26(32)20-9-3-1-4-10-20/h1-6,9-12H,7-8,13-19H2,(H,28,31)/p+1