1-butyl-5-[(1R)-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-butyl-5-[(1R)-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-butyl-6-hydroxy-5-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione CAS Name: 1-butyl-6-hydroxy-5-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione IUPAC Name: 1-butyl-6-hydroxy-5-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione Traditional Name: 1-butyl-6-hydroxy-5-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl]pyrimidine-2,4-quinone Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)C2C3=C(CC[NH2+]2)C4=C(N3)C=CC(=C4)OC)O

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)[C@@H]2C3=C(CC[NH2+]2)C4=C(N3)C=CC(=C4)OC)O

InChI

InChI=1S/C20H24N4O4/c1-3-4-9-24-19(26)15(18(25)23-20(24)27)17-16-12(7-8-21-17)13-10-11(28-2)5-6-14(13)22-16/h5-6,10,17,21-22,26H,3-4,7-9H2,1-2H3,(H,23,25,27)/p+1/t17-/m1/s1