4-[(2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-pyridin-4-yl-piperidine-4-carboxylic acid dihydrochloride

Systemtic Name: 4-[(2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-pyridin-4-yl-piperidine-4-carboxylic acid dihydrochloride Openeye Name: 4-[(2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-(4-pyridyl)piperidine-4-carboxylic acid dihydrochloride CAS Name: 4-[(2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-pyridin-4-yl-4-piperidinecarboxylic acid dihydrochloride IUPAC Name: 4-[(2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-pyridin-4-ylpiperidine-4-carboxylic acid dihydrochloride Traditional Name: 4-[(2-amidino-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-(4-pyridyl)isonipecotic acid dihydrochloride Formula: C23H31Cl2N5O3 MolecularWeight: 496.42994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CN(C1)C(=N)N)C=C(C=C2)OCC3(CCN(CC3)C4=CC=NC=C4)C(=O)O.Cl.Cl

Isomeric SMILES

C1CC2=C(CN(C1)C(=N)N)C=C(C=C2)OCC3(CCN(CC3)C4=CC=NC=C4)C(=O)O.Cl.Cl

InChI

InChI=1S/C23H29N5O3.2ClH/c24-22(25)28-11-1-2-17-3-4-20(14-18(17)15-28)31-16-23(21(29)30)7-12-27(13-8-23)19-5-9-26-10-6-19;;/h3-6,9-10,14H,1-2,7-8,11-13,15-16H2,(H3,24,25)(H,29,30);2*1H