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

Systemtic Name: 5-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-6-oxidanyl-1,3-diphenyl-pyrimidine-2,4-dione Openeye Name: 6-hydroxy-5-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-1,3-diphenyl-pyrimidine-2,4-dione CAS Name: 6-hydroxy-5-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-1,3-diphenylpyrimidine-2,4-dione IUPAC Name: 6-hydroxy-5-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-1,3-diphenylpyrimidine-2,4-dione Traditional Name: 6-hydroxy-5-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl]-1,3-diphenyl-pyrimidine-2,4-quinone Formula: C28H25N4O4+ MolecularWeight: 481.5225

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2CC[NH2+]C3C4=C(N(C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2CC[NH2+][C@H]3C4=C(N(C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C28H24N4O4/c1-36-19-12-13-22-21(16-19)20-14-15-29-25(24(20)30-22)23-26(33)31(17-8-4-2-5-9-17)28(35)32(27(23)34)18-10-6-3-7-11-18/h2-13,16,25,29-30,33H,14-15H2,1H3/p+1/t25-/m0/s1