4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-aniline

Systemtic Name: 4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-aniline Openeye Name: 4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-aniline CAS Name: 4-methoxy-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]aniline IUPAC Name: 4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylaniline Traditional Name: [4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-phenyl]amine Formula: C16H21N4O3S+ MolecularWeight: 349.42794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=C(C=C(C=C1)N)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H20N4O3S/c1-23-14-6-5-13(17)12-15(14)24(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