N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-methylsulfonyl-benzamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-methylsulfonyl-benzamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-3-methylsulfonylbenzamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-methylsulfonylbenzamide Traditional Name: 3-mesyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S/c1-21-8-10-22(11-9-21)17-7-6-15(13-19-17)20-18(23)14-4-3-5-16(12-14)26(2,24)25/h3-7,12-13H,8-11H2,1-2H3,(H,20,23)/p+1