dicyclohexyl-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: dicyclohexyl-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: dicyclohexyl-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl]ammonium CAS Name: dicyclohexyl-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]ammonium IUPAC Name: dicyclohexyl-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]azanium Traditional Name: dicyclohexyl-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl]ammonium Formula: C28H37N2O+ MolecularWeight: 417.60618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)[NH+](CC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C5CCCCC5

InChI

InChI=1S/C28H36N2O/c31-28(21-29(24-13-3-1-4-14-24)25-15-5-2-6-16-25)30-26-17-9-7-11-22(26)19-20-23-12-8-10-18-27(23)30/h7-12,17-18,24-25H,1-6,13-16,19-21H2/p+1