4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methylpyridin-4-yl)piperidine-4-carboxylic acid dihydrochloride

Systemtic Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methylpyridin-4-yl)piperidine-4-carboxylic acid dihydrochloride Openeye Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methyl-4-pyridyl)piperidine-4-carboxylic acid dihydrochloride CAS Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methyl-4-pyridinyl)-4-piperidinecarboxylic acid dihydrochloride IUPAC Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methylpyridin-4-yl)piperidine-4-carboxylic acid dihydrochloride Traditional Name: 4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methyl-4-pyridyl)isonipecotic acid dihydrochloride Formula: C23H31Cl2N5O3 MolecularWeight: 496.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)N2CCC(CC2)(COC3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=O)O.Cl.Cl

Isomeric SMILES

CC1=NC=CC(=C1)N2CCC(CC2)(COC3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=O)O.Cl.Cl

InChI

InChI=1S/C23H29N5O3.2ClH/c1-16-12-19(4-8-26-16)27-10-6-23(7-11-27,21(29)30)15-31-20-3-2-17-5-9-28(22(24)25)14-18(17)13-20;;/h2-4,8,12-13H,5-7,9-11,14-15H2,1H3,(H3,24,25)(H,29,30);2*1H