9-bromanyl-5-methyl-5-(phenylmethyl)-7,12-dihydroindolo[3,2-d][1]benzazepin-5-ium-6-one

Systemtic Name: 9-bromanyl-5-methyl-5-(phenylmethyl)-7,12-dihydroindolo[3,2-d][1]benzazepin-5-ium-6-one Openeye Name: 5-benzyl-9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-5-ium-6-one CAS Name: 9-bromo-5-methyl-5-(phenylmethyl)-7,12-dihydroindolo[3,2-d][1]benzazepin-5-ium-6-one IUPAC Name: 5-benzyl-9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-5-ium-6-one Traditional Name: 5-benzyl-9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-5-ium-6-one Formula: C24H20BrN2O+ MolecularWeight: 432.3324

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)CC2=C(C3=CC=CC=C31)NC4=C2C=C(C=C4)Br)CC5=CC=CC=C5

Isomeric SMILES

C[N+]1(C(=O)CC2=C(C3=CC=CC=C31)NC4=C2C=C(C=C4)Br)CC5=CC=CC=C5

InChI

InChI=1S/C24H20BrN2O/c1-27(15-16-7-3-2-4-8-16)22-10-6-5-9-18(22)24-20(14-23(27)28)19-13-17(25)11-12-21(19)26-24/h2-13,26H,14-15H2,1H3/q+1