6-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-7H-benzo[d][2]benzazepin-6-ium

Systemtic Name: 6-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-7H-benzo[d][2]benzazepin-6-ium Openeye Name: 6-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-7H-benzo[d][2]benzazepin-6-ium CAS Name: 6-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-7H-benzo[d][2]benzazepin-6-ium IUPAC Name: 6-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-7H-benzo[d][2]benzazepin-6-ium Traditional Name: 6-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-7H-benzo[d][2]benzazepin-6-ium Formula: C26H26NO2+ MolecularWeight: 384.49014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)C2=CC=CC=C2)[N+]3=CC4=CC=CC=C4C5=CC=CC=C5C3)C

Isomeric SMILES

CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)[N+]3=CC4=CC=CC=C4C5=CC=CC=C5C3)C

InChI

InChI=1S/C26H26NO2/c1-26(2)28-18-24(25(29-26)19-10-4-3-5-11-19)27-16-20-12-6-8-14-22(20)23-15-9-7-13-21(23)17-27/h3-16,24-25H,17-18H2,1-2H3/q+1/t24-,25-/m0/s1