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

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H27ClN3OS+ MolecularWeight: 404.97658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3OS/c1-2-24-9-11-25(12-10-24)18-8-7-16(22)14-17(18)23-21(26)20-13-15-5-3-4-6-19(15)27-20/h7-8,13-14H,2-6,9-12H2,1H3,(H,23,26)/p+1