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

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3OS/c1-2-23-11-13-24(14-12-23)18-9-5-4-8-17(18)22-21(25)20-15-16-7-3-6-10-19(16)26-20/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3,(H,22,25)/p+1