1-methyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-chromeno[3,4-d]imidazol-4-one

Systemtic Name: 1-methyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-chromeno[3,4-d]imidazol-4-one Openeye Name: 1-methyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-chromeno[3,4-d]imidazol-4-one CAS Name: 1-methyl-8-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-4-[1]benzopyrano[3,4-d]imidazolone IUPAC Name: 1-methyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one Traditional Name: 1-methyl-8-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-chromen[3,4-d]imidazol-4-one Formula: C20H20N5O4S+ MolecularWeight: 426.4689

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)OC2=O

Isomeric SMILES

CN1C=NC2=C1C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)OC2=O

InChI

InChI=1S/C20H19N5O4S/c1-23-13-22-18-19(23)15-12-14(5-6-16(15)29-20(18)26)30(27,28)25-10-8-24(9-11-25)17-4-2-3-7-21-17/h2-7,12-13H,8-11H2,1H3/p+1