N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C20H25N3OS/c1-22-10-12-23(13-11-22)16-8-6-15(7-9-16)21-20(24)18-14-25-19-5-3-2-4-17(18)19/h6-9,14H,2-5,10-13H2,1H3,(H,21,24)/p+1