3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-pyridylmethyl)benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-pyridylmethyl)benzamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C18H22N4O3S/c1-21-8-10-22(11-9-21)26(24,25)17-6-2-5-16(12-17)18(23)20-14-15-4-3-7-19-13-15/h2-7,12-13H,8-11,14H2,1H3,(H,20,23)/p+1