[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-oxidanidylpyridin-1-ium-2-yl)methanone

Systemtic Name: [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-oxidanidylpyridin-1-ium-2-yl)methanone Openeye Name: [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone CAS Name: [4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-(1-oxido-2-pyridin-1-iumyl)methanone IUPAC Name: [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone Traditional Name: [4-(2,5-dimethoxyphenyl)sulfonylpiperazino]-(1-oxidopyridin-1-ium-2-yl)methanone Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-26-14-6-7-16(27-2)17(13-14)28(24,25)20-11-9-19(10-12-20)18(22)15-5-3-4-8-21(15)23/h3-8,13H,9-12H2,1-2H3