N-[(3-fluorophenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine

Systemtic Name: N-[(3-fluorophenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine Openeye Name: N-[(3-fluorophenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine CAS Name: N-[(3-fluorophenyl)methyl]-N-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinamine IUPAC Name: N-[(3-fluorophenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-amine Traditional Name: (3-fluorobenzyl)-methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]amine Formula: C18H24FN4O2S+ MolecularWeight: 379.472163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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