5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(phenylmethyl)pyridin-1-ium-2-amine

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(phenylmethyl)pyridin-1-ium-2-amine Openeye Name: N-benzyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine CAS Name: 5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(phenylmethyl)-2-pyridin-1-iumamine IUPAC Name: N-benzyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine Traditional Name: benzyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]amine Formula: C17H24N4O2S+2 MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S/c1-20-9-11-21(12-10-20)24(22,23)16-7-8-17(19-14-16)18-13-15-5-3-2-4-6-15/h2-8,14H,9-13H2,1H3,(H,18,19)/p+2