6-[(1S,2S)-2-phenylmethoxycyclohexyl]-7H-benzo[d][2]benzazepin-6-ium

Systemtic Name: 6-[(1S,2S)-2-phenylmethoxycyclohexyl]-7H-benzo[d][2]benzazepin-6-ium Openeye Name: 6-[(1S,2S)-2-benzyloxycyclohexyl]-7H-benzo[d][2]benzazepin-6-ium CAS Name: 6-[(1S,2S)-2-phenylmethoxycyclohexyl]-7H-benzo[d][2]benzazepin-6-ium IUPAC Name: 6-[(1S,2S)-2-phenylmethoxycyclohexyl]-7H-benzo[d][2]benzazepin-6-ium Traditional Name: 6-[(1S,2S)-2-benzoxycyclohexyl]-7H-benzo[d][2]benzazepin-6-ium Formula: C27H28NO+ MolecularWeight: 382.51732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)[N+]2=CC3=CC=CC=C3C4=CC=CC=C4C2)OCC5=CC=CC=C5

Isomeric SMILES

C1CC[C@@H]([C@H](C1)[N+]2=CC3=CC=CC=C3C4=CC=CC=C4C2)OCC5=CC=CC=C5

InChI

InChI=1S/C27H28NO/c1-2-10-21(11-3-1)20-29-27-17-9-8-16-26(27)28-18-22-12-4-6-14-24(22)25-15-7-5-13-23(25)19-28/h1-7,10-15,18,26-27H,8-9,16-17,19-20H2/q+1/t26-,27-/m0/s1