2-methyl-9-[(2S)-2-oxidanyl-3-(10H-phenothiazin-10-ium-10-yl)propyl]-3,4-dihydropyrido[3,4-b]indol-1-one

Systemtic Name: 2-methyl-9-[(2S)-2-oxidanyl-3-(10H-phenothiazin-10-ium-10-yl)propyl]-3,4-dihydropyrido[3,4-b]indol-1-one Openeye Name: 9-[(2S)-2-hydroxy-3-(10H-phenothiazin-10-ium-10-yl)propyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one CAS Name: 9-[(2S)-2-hydroxy-3-(10H-phenothiazin-10-ium-10-yl)propyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one IUPAC Name: 9-[(2S)-2-hydroxy-3-(10H-phenothiazin-10-ium-10-yl)propyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one Traditional Name: 9-[(2S)-2-hydroxy-3-(10H-phenothiazin-10-ium-10-yl)propyl]-2-methyl-3,4-dihydro-$b-carbolin-1-one Formula: C27H26N3O2S+ MolecularWeight: 456.57924

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1=O)N(C3=CC=CC=C23)CC(C[NH+]4C5=CC=CC=C5SC6=CC=CC=C64)O

Isomeric SMILES

CN1CCC2=C(C1=O)N(C3=CC=CC=C23)C[C@@H](C[NH+]4C5=CC=CC=C5SC6=CC=CC=C64)O

InChI

InChI=1S/C27H25N3O2S/c1-28-15-14-20-19-8-2-3-9-21(19)30(26(20)27(28)32)17-18(31)16-29-22-10-4-6-12-24(22)33-25-13-7-5-11-23(25)29/h2-13,18,31H,14-17H2,1H3/p+1/t18-/m1/s1