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

Systemtic Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N4CC[NH+](CC4)CCO

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N4CC[NH+](CC4)CCO

InChI

InChI=1S/C21H25N3O2/c25-16-15-22-11-13-23(14-12-22)21(26)24-19-7-3-1-5-17(19)9-10-18-6-2-4-8-20(18)24/h1-8,25H,9-16H2/p+1