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

Systemtic Name: N-(2-methoxyethyl)-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine Openeye Name: N-(2-methoxyethyl)-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine CAS Name: N-(2-methoxyethyl)-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumamine IUPAC Name: N-(2-methoxyethyl)-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine Traditional Name: 2-methoxyethyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]amine Formula: C13H24N4O3S+2 MolecularWeight: 316.41966

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCOC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCOC

InChI

InChI=1S/C13H22N4O3S/c1-16-6-8-17(9-7-16)21(18,19)12-3-4-13(15-11-12)14-5-10-20-2/h3-4,11H,5-10H2,1-2H3,(H,14,15)/p+2