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

Systemtic Name: N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(phenylmethyl)pyridin-1-ium-2-amine Openeye Name: N-benzyl-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine CAS Name: N-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(phenylmethyl)-2-pyridin-1-iumamine IUPAC Name: N-benzyl-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine Traditional Name: benzyl-methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]amine Formula: C18H26N4O2S+2 MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N(C)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O2S/c1-20-10-12-22(13-11-20)25(23,24)17-8-9-18(19-14-17)21(2)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3/p+2