10-[(4-phenylpiperazin-1-yl)methyl]-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium

Systemtic Name: 10-[(4-phenylpiperazin-1-yl)methyl]-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium Openeye Name: 10-[(4-phenylpiperazin-1-yl)methyl]-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium CAS Name: 10-[(4-phenyl-1-piperazinyl)methyl]-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium IUPAC Name: 10-[(4-phenylpiperazin-1-yl)methyl]-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium Traditional Name: 10-[(4-phenylpiperazino)methyl]-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium Formula: C23H26N3O+ MolecularWeight: 360.47204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C[N+]23CC=CC2=COC4=CC=CC=C4C3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C[N+]23CC=CC2=COC4=CC=CC=C4C3)C5=CC=CC=C5

InChI

InChI=1S/C23H26N3O/c1-2-8-21(9-3-1)25-14-12-24(13-15-25)19-26-16-6-10-22(26)18-27-23-11-5-4-7-20(23)17-26/h1-11,18H,12-17,19H2/q+1