[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(5-methoxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)methanone chloride

Systemtic Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(5-methoxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)methanone chloride Openeye Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(5-methoxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)methanone chloride CAS Name: [4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-(5-methoxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)methanone chloride IUPAC Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(5-methoxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)methanone chloride Traditional Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(5-methoxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)methanone chloride Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N4CC[NH+](CC4)CCO.[Cl-]

Isomeric SMILES

COC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N4CC[NH+](CC4)CCO.[Cl-]

InChI

InChI=1S/C22H27N3O3.ClH/c1-28-21-16-17-6-2-4-8-19(17)25(20-9-5-3-7-18(20)21)22(27)24-12-10-23(11-13-24)14-15-26;/h2-9,21,26H,10-16H2,1H3;1H