1-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]-4-methyl-piperazin-4-ium CAS Name: 1-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]-4-methylpiperazin-4-ium Traditional Name: 1-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]-4-methyl-piperazin-4-ium Formula: C19H23N2O+ MolecularWeight: 295.39872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2C3=CC=CC=C3COC4=CC=CC=C24

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H]2C3=CC=CC=C3COC4=CC=CC=C24

InChI

InChI=1S/C19H22N2O/c1-20-10-12-21(13-11-20)19-16-7-3-2-6-15(16)14-22-18-9-5-4-8-17(18)19/h2-9,19H,10-14H2,1H3/p+1/t19-/m0/s1