(3R)-6-methyl-3-(4-methylphenyl)sulfanyl-8-nitro-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: (3R)-6-methyl-3-(4-methylphenyl)sulfanyl-8-nitro-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one Openeye Name: (3R)-6-methyl-8-nitro-3-(piperidin-1-ium-1-ylmethyl)-3-(p-tolylsulfanyl)chroman-4-one CAS Name: (3R)-6-methyl-3-[(4-methylphenyl)thio]-8-nitro-3-(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3R)-6-methyl-3-(4-methylphenyl)sulfanyl-8-nitro-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one Traditional Name: (3R)-6-methyl-8-nitro-3-(piperidin-1-ium-1-ylmethyl)-3-(p-tolylthio)chroman-4-one Formula: C23H27N2O4S+ MolecularWeight: 427.53648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(COC3=C(C=C(C=C3C2=O)C)[N+](=O)[O-])C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@]2(COC3=C(C=C(C=C3C2=O)C)[N+](=O)[O-])C[NH+]4CCCCC4

InChI

InChI=1S/C23H26N2O4S/c1-16-6-8-18(9-7-16)30-23(14-24-10-4-3-5-11-24)15-29-21-19(22(23)26)12-17(2)13-20(21)25(27)28/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3/p+1/t23-/m1/s1