ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]-1-pyridin-4-yl-piperidine-4-carboxylate dihydrochloride

Systemtic Name: ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]-1-pyridin-4-yl-piperidine-4-carboxylate dihydrochloride Openeye Name: ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]-1-(4-pyridyl)piperidine-4-carboxylate dihydrochloride CAS Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]-1-pyridin-4-yl-4-piperidinecarboxylic acid ethyl ester dihydrochloride IUPAC Name: ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]-1-pyridin-4-ylpiperidine-4-carboxylate dihydrochloride Traditional Name: 4-[(2-amidino-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]-1-(4-pyridyl)isonipecotic acid ethyl ester dihydrochloride Formula: C24H33Cl2N5O3 MolecularWeight: 510.45652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O3.2ClH/c1-2-31-22(30)24(8-13-28(14-9-24)20-5-10-27-11-6-20)17-32-21-4-3-19-16-29(23(25)26)12-7-18(19)15-21;;/h3-6,10-11,15H,2,7-9,12-14,16-17H2,1H3,(H3,25,26);2*1H