3-chloranyl-4-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-4-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-4-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-4-methyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-4-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-4-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzothiophene-2-carboxamide Formula: C20H22ClN4OS+ MolecularWeight: 401.93288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=C2Cl)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=C2Cl)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C20H21ClN4OS/c1-13-4-3-5-15-17(13)18(21)19(27-15)20(26)23-14-6-7-16(22-12-14)25-10-8-24(2)9-11-25/h3-7,12H,8-11H2,1-2H3,(H,23,26)/p+1