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

Systemtic Name: 8-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-1-methyl-chromeno[3,4-d]imidazol-4-one Openeye Name: 8-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-1-methyl-chromeno[3,4-d]imidazol-4-one CAS Name: 8-[(4-cyclohexyl-1-piperazin-4-iumyl)sulfonyl]-1-methyl-4-[1]benzopyrano[3,4-d]imidazolone IUPAC Name: 8-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-1-methylchromeno[3,4-d]imidazol-4-one Traditional Name: 8-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-1-methyl-chromen[3,4-d]imidazol-4-one Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C3=C(C=CC(=C3)S(=O)(=O)N4CC[NH+](CC4)C5CCCCC5)OC2=O

Isomeric SMILES

CN1C=NC2=C1C3=C(C=CC(=C3)S(=O)(=O)N4CC[NH+](CC4)C5CCCCC5)OC2=O

InChI

InChI=1S/C21H26N4O4S/c1-23-14-22-19-20(23)17-13-16(7-8-18(17)29-21(19)26)30(27,28)25-11-9-24(10-12-25)15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12H2,1H3/p+1