N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C20H25N3OS/c1-22-10-12-23(13-11-22)17-8-4-3-7-16(17)21-20(24)19-14-15-6-2-5-9-18(15)25-19/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,21,24)/p+1