N-methyl-N-[(2-methylphenyl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-methyl-N-[(2-methylphenyl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine Openeye Name: N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(o-tolylmethyl)pyridin-1-ium-2-amine CAS Name: N-methyl-N-[(2-methylphenyl)methyl]-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumamine IUPAC Name: N-methyl-N-[(2-methylphenyl)methyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine Traditional Name: methyl-(2-methylbenzyl)-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]amine Formula: C19H28N4O2S+2 MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H26N4O2S/c1-16-6-4-5-7-17(16)15-22(3)19-9-8-18(14-20-19)26(24,25)23-12-10-21(2)11-13-23/h4-9,14H,10-13,15H2,1-3H3/p+2