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

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-oxidanyl-5-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-6-hydroxy-5-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-[(1S)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl]pyrimidine-2,4-quinone Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=C(C(=O)NC2=O)C3C4=C(CC[NH2+]3)C5=CC=CC=C5N4)O

Isomeric SMILES

C1CCC(=CC1)CCN2C(=C(C(=O)NC2=O)[C@H]3C4=C(CC[NH2+]3)C5=CC=CC=C5N4)O

InChI

InChI=1S/C23H26N4O3/c28-21-18(20-19-16(10-12-24-20)15-8-4-5-9-17(15)25-19)22(29)27(23(30)26-21)13-11-14-6-2-1-3-7-14/h4-6,8-9,20,24-25,29H,1-3,7,10-13H2,(H,26,28,30)/p+1/t20-/m0/s1