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

Systemtic Name: [2-(2-azanyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: [2-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [2-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]-dimethylammonium IUPAC Name: [2-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]-dimethylazanium Traditional Name: [2-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl]-dimethyl-ammonium Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)N

Isomeric SMILES

C[NH+](C)CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)N

InChI

InChI=1S/C18H21N3O/c1-20(2)12-18(22)21-16-6-4-3-5-13(16)7-8-14-9-10-15(19)11-17(14)21/h3-6,9-11H,7-8,12,19H2,1-2H3/p+1