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

Systemtic Name: ethyl 4-[(2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-pyridin-4-yl-piperidine-4-carboxylate dihydrochloride Openeye Name: ethyl 4-[(2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-(4-pyridyl)piperidine-4-carboxylate dihydrochloride CAS Name: 4-[(2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-pyridin-4-yl-4-piperidinecarboxylic acid ethyl ester dihydrochloride IUPAC Name: ethyl 4-[(2-carbamimidoyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-pyridin-4-ylpiperidine-4-carboxylate dihydrochloride Traditional Name: 4-[(2-amidino-1,3,4,5-tetrahydro-2-benzazepin-8-yl)oxymethyl]-1-(4-pyridyl)isonipecotic acid ethyl ester dihydrochloride Formula: C25H35Cl2N5O3 MolecularWeight: 524.4831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)COC3=CC4=C(CCCN(C4)C(=N)N)C=C3.Cl.Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)COC3=CC4=C(CCCN(C4)C(=N)N)C=C3.Cl.Cl

InChI

InChI=1S/C25H33N5O3.2ClH/c1-2-32-23(31)25(9-14-29(15-10-25)21-7-11-28-12-8-21)18-33-22-6-5-19-4-3-13-30(24(26)27)17-20(19)16-22;;/h5-8,11-12,16H,2-4,9-10,13-15,17-18H2,1H3,(H3,26,27);2*1H