3-chloranyl-5,5-dimethyl-7-(phenylmethyl)-6H-indolo[3,2-b][1,5]benzoxazepin-5-ium

Systemtic Name: 3-chloranyl-5,5-dimethyl-7-(phenylmethyl)-6H-indolo[3,2-b][1,5]benzoxazepin-5-ium Openeye Name: 7-benzyl-3-chloro-5,5-dimethyl-6H-indolo[3,2-b][1,5]benzoxazepin-5-ium CAS Name: 3-chloro-5,5-dimethyl-7-(phenylmethyl)-6H-indolo[3,2-b][1,5]benzoxazepin-5-ium IUPAC Name: 7-benzyl-3-chloro-5,5-dimethyl-6H-indolo[3,2-b][1,5]benzoxazepin-5-ium Traditional Name: 7-benzyl-3-chloro-5,5-dimethyl-6H-indolo[3,2-b][1,5]benzoxazepin-5-ium Formula: C24H22ClN2O+ MolecularWeight: 389.89728

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(C3=C1C=C(C=C3)Cl)OC4=CC=CC=C4N(C2)CC5=CC=CC=C5)C

Isomeric SMILES

C[N+]1(C2=C(C3=C1C=C(C=C3)Cl)OC4=CC=CC=C4N(C2)CC5=CC=CC=C5)C

InChI

InChI=1S/C24H22ClN2O/c1-27(2)21-14-18(25)12-13-19(21)24-22(27)16-26(15-17-8-4-3-5-9-17)20-10-6-7-11-23(20)28-24/h3-14H,15-16H2,1-2H3/q+1