6-oxidanyl-1-phenethyl-2-sulfanylidene-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidin-4-one

Systemtic Name: 6-oxidanyl-1-phenethyl-2-sulfanylidene-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidin-4-one Openeye Name: 6-hydroxy-1-phenethyl-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-2-thioxo-pyrimidin-4-one CAS Name: 6-hydroxy-1-phenethyl-2-sulfanylidene-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-4-pyrimidinone IUPAC Name: 6-hydroxy-1-phenethyl-2-sulfanylidene-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidin-4-one Traditional Name: 6-hydroxy-1-phenethyl-5-[(1R)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one Formula: C23H23N4O2S+ MolecularWeight: 419.51932

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(C2=C1C3=CC=CC=C3N2)C4=C(N(C(=S)NC4=O)CCC5=CC=CC=C5)O

Isomeric SMILES

C1C[NH2+][C@@H](C2=C1C3=CC=CC=C3N2)C4=C(N(C(=S)NC4=O)CCC5=CC=CC=C5)O

InChI

InChI=1S/C23H22N4O2S/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/h1-9,20,24-25,29H,10-13H2,(H,26,28,30)/p+1/t20-/m1/s1