1-(3,4-dimethylphenyl)-6-oxidanyl-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione

Systemtic Name: 1-(3,4-dimethylphenyl)-6-oxidanyl-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione Openeye Name: 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione CAS Name: 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione IUPAC Name: 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione Traditional Name: 1-(3,4-dimethylphenyl)-6-hydroxy-5-[(1R)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl]pyrimidine-2,4-quinone Formula: C23H23N4O3+ MolecularWeight: 403.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=O)NC2=O)C3C4=C(CC[NH2+]3)C5=CC=CC=C5N4)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=O)NC2=O)[C@@H]3C4=C(CC[NH2+]3)C5=CC=CC=C5N4)O)C

InChI

InChI=1S/C23H22N4O3/c1-12-7-8-14(11-13(12)2)27-22(29)18(21(28)26-23(27)30)20-19-16(9-10-24-20)15-5-3-4-6-17(15)25-19/h3-8,11,20,24-25,29H,9-10H2,1-2H3,(H,26,28,30)/p+1/t20-/m1/s1