4-bromanyl-2-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]phenolate

Systemtic Name: 4-bromanyl-2-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]phenolate Openeye Name: 4-bromo-2-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]phenolate CAS Name: 4-bromo-2-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]phenolate IUPAC Name: 4-bromo-2-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]phenolate Traditional Name: 4-bromo-2-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl]phenolate Formula: C18H17BrN2O2 MolecularWeight: 373.24378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2CC[NH2+]C3C4=C(C=CC(=C4)Br)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2CC[NH2+][C@H]3C4=C(C=CC(=C4)Br)[O-]

InChI

InChI=1S/C18H17BrN2O2/c1-23-11-3-4-15-13(9-11)12-6-7-20-17(18(12)21-15)14-8-10(19)2-5-16(14)22/h2-5,8-9,17,20-22H,6-7H2,1H3/t17-/m0/s1