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

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzothiophene-2-carboxamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzothiophene-2-carboxamide Formula: C19H21N4OS+ MolecularWeight: 353.46124

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N4OS/c1-22-8-10-23(11-9-22)18-7-6-15(13-20-18)21-19(24)17-12-14-4-2-3-5-16(14)25-17/h2-7,12-13H,8-11H2,1H3,(H,21,24)/p+1