2-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-aniline

Systemtic Name: 2-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-aniline Openeye Name: 2-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-aniline CAS Name: 2-methyl-4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]aniline IUPAC Name: 2-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylaniline Traditional Name: [2-methyl-4-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-phenyl]amine Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)N

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)N

InChI

InChI=1S/C16H20N4O2S/c1-13-12-14(5-6-15(13)17)23(21,22)20-10-8-19(9-11-20)16-4-2-3-7-18-16/h2-7,12H,8-11,17H2,1H3/p+1