potassium 4-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperazine-2-carboxylate

Systemtic Name: potassium 4-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperazine-2-carboxylate Openeye Name: potassium 4-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperazine-2-carboxylate CAS Name: potassium 4-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-2-piperazinecarboxylate IUPAC Name: potassium 4-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperazine-2-carboxylate Traditional Name: potassium 4-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperazine-2-carboxylate Formula: C22H26KN3O2 MolecularWeight: 403.55904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCCN4CCNC(C4)C(=O)[O-].[K+]

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCCN4CCNC(C4)C(=O)[O-].[K+]

InChI

InChI=1S/C22H27N3O2.K/c26-22(27)19-16-24(15-12-23-19)13-5-14-25-20-8-3-1-6-17(20)10-11-18-7-2-4-9-21(18)25;/h1-4,6-9,19,23H,5,10-16H2,(H,26,27);/q;+1/p-1