3-[2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propyl-dimethylammonium IUPAC Name: 3-[2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propyl-dimethylazanium Traditional Name: 3-[2-(carbethoxyamino)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propyl-dimethyl-ammonium Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2CCC[NH+](C)C)C=C1

Isomeric SMILES

CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2CCC[NH+](C)C)C=C1

InChI

InChI=1S/C22H29N3O2/c1-4-27-22(26)23-19-13-12-18-11-10-17-8-5-6-9-20(17)25(21(18)16-19)15-7-14-24(2)3/h5-6,8-9,12-13,16H,4,7,10-11,14-15H2,1-3H3,(H,23,26)/p+1