2-[[2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]carbonyloxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]carbonyloxy]ethyl-dimethyl-azanium Openeye Name: 2-[2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl]oxyethyl-dimethyl-ammonium CAS Name: 2-[[2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-oxomethoxy]ethyl-dimethylammonium IUPAC Name: 2-[2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl]oxyethyl-dimethylazanium Traditional Name: 2-[2-(carbethoxyamino)-5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl]oxyethyl-dimethyl-ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)OCC[NH+](C)C)C=C1

Isomeric SMILES

CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)OCC[NH+](C)C)C=C1

InChI

InChI=1S/C22H27N3O4/c1-4-28-21(26)23-18-12-11-17-10-9-16-7-5-6-8-19(16)25(20(17)15-18)22(27)29-14-13-24(2)3/h5-8,11-12,15H,4,9-10,13-14H2,1-3H3,(H,23,26)/p+1