[3-[2-(ethoxycarbonylamino)benzo[b][1]benzazepin-11-yl]-3-oxidanylidene-propyl]-dimethyl-azanium

Systemtic Name: [3-[2-(ethoxycarbonylamino)benzo[b][1]benzazepin-11-yl]-3-oxidanylidene-propyl]-dimethyl-azanium Openeye Name: [3-[2-(ethoxycarbonylamino)benzo[b][1]benzazepin-11-yl]-3-oxo-propyl]-dimethyl-ammonium CAS Name: [3-[2-(ethoxycarbonylamino)-11-benzo[b][1]benzazepinyl]-3-oxopropyl]-dimethylammonium IUPAC Name: [3-[2-(ethoxycarbonylamino)benzo[b][1]benzazepin-11-yl]-3-oxopropyl]-dimethylazanium Traditional Name: [3-[2-(carbethoxyamino)benzo[b][1]benzazepin-11-yl]-3-keto-propyl]-dimethyl-ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-4-28-22(27)23-18-12-11-17-10-9-16-7-5-6-8-19(16)25(20(17)15-18)21(26)13-14-24(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)/p+1