9-(4-methoxyphenyl)-6-phenyl-6,8,9,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-11-ium-7-ol

Systemtic Name: 9-(4-methoxyphenyl)-6-phenyl-6,8,9,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-11-ium-7-ol Openeye Name: 9-(4-methoxyphenyl)-6-phenyl-6,8,9,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-11-ium-7-ol CAS Name: 9-(4-methoxyphenyl)-6-phenyl-6,8,9,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-11-ium-7-ol IUPAC Name: 9-(4-methoxyphenyl)-6-phenyl-6,8,9,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-11-ium-7-ol Traditional Name: 9-(4-methoxyphenyl)-6-phenyl-6,8,9,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-11-ium-7-ol Formula: C26H25N2O2+ MolecularWeight: 397.4889

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=C3C(NC4=CC=CC=C4[NH+]=C3C2)C5=CC=CC=C5)O

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=C3C(NC4=CC=CC=C4[NH+]=C3C2)C5=CC=CC=C5)O

InChI

InChI=1S/C26H24N2O2/c1-30-20-13-11-17(12-14-20)19-15-23-25(24(29)16-19)26(18-7-3-2-4-8-18)28-22-10-6-5-9-21(22)27-23/h2-14,19,26,28-29H,15-16H2,1H3/p+1