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

Systemtic Name: 1-cyclohexyl-5-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-6-oxidanyl-pyrimidine-2,4-dione Openeye Name: 1-cyclohexyl-6-hydroxy-5-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione CAS Name: 1-cyclohexyl-6-hydroxy-5-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione IUPAC Name: 1-cyclohexyl-6-hydroxy-5-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione Traditional Name: 1-cyclohexyl-6-hydroxy-5-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl]pyrimidine-2,4-quinone Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2CC[NH2+]C3C4=C(N(C(=O)NC4=O)C5CCCCC5)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2CC[NH2+][C@H]3C4=C(N(C(=O)NC4=O)C5CCCCC5)O

InChI

InChI=1S/C22H26N4O4/c1-30-13-7-8-16-15(11-13)14-9-10-23-19(18(14)24-16)17-20(27)25-22(29)26(21(17)28)12-5-3-2-4-6-12/h7-8,11-12,19,23-24,28H,2-6,9-10H2,1H3,(H,25,27,29)/p+1/t19-/m0/s1