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

Systemtic Name: N-[(2-fluorophenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(2-fluorophenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(2-fluorophenyl)methyl]-N-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumamine IUPAC Name: N-[(2-fluorophenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine Traditional Name: (2-fluorobenzyl)-methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]amine Formula: C18H25FN4O2S+2 MolecularWeight: 380.480103

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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=C3F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N(C)CC3=CC=CC=C3F

InChI

InChI=1S/C18H23FN4O2S/c1-21-9-11-23(12-10-21)26(24,25)16-7-8-18(20-13-16)22(2)14-15-5-3-4-6-17(15)19/h3-8,13H,9-12,14H2,1-2H3/p+2