[2-[2-(ethoxycarbonylamino)benzo[b][1]benzazepin-11-yl]-2-oxidanylidene-ethyl]-dimethyl-azanium

Systemtic Name: [2-[2-(ethoxycarbonylamino)benzo[b][1]benzazepin-11-yl]-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: [2-[2-(ethoxycarbonylamino)benzo[b][1]benzazepin-11-yl]-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [2-[2-(ethoxycarbonylamino)-11-benzo[b][1]benzazepinyl]-2-oxoethyl]-dimethylammonium IUPAC Name: [2-[2-(ethoxycarbonylamino)benzo[b][1]benzazepin-11-yl]-2-oxoethyl]-dimethylazanium Traditional Name: [2-[2-(carbethoxyamino)benzo[b][1]benzazepin-11-yl]-2-keto-ethyl]-dimethyl-ammonium Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=CC3=CC=CC=C3N2C(=O)C[NH+](C)C)C=C1

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=CC3=CC=CC=C3N2C(=O)C[NH+](C)C)C=C1

InChI

InChI=1S/C21H23N3O3/c1-4-27-21(26)22-17-12-11-16-10-9-15-7-5-6-8-18(15)24(19(16)13-17)20(25)14-23(2)3/h5-13H,4,14H2,1-3H3,(H,22,26)/p+1