ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-carbamimidoylphenyl)piperidine-4-carboxylate trihydrochloride

Systemtic Name: ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-carbamimidoylphenyl)piperidine-4-carboxylate trihydrochloride Openeye Name: ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-carbamimidoylphenyl)piperidine-4-carboxylate trihydrochloride CAS Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-carbamimidoylphenyl)-4-piperidinecarboxylic acid ethyl ester trihydrochloride IUPAC Name: ethyl 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-carbamimidoylphenyl)piperidine-4-carboxylate trihydrochloride Traditional Name: 4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-amidinophenyl)isonipecotic acid ethyl ester trihydrochloride Formula: C26H37Cl3N6O3 MolecularWeight: 587.96938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N6O3.3ClH/c1-2-34-24(33)26(10-13-31(14-11-26)21-6-3-19(4-7-21)23(27)28)17-35-22-8-5-18-9-12-32(25(29)30)16-20(18)15-22;;;/h3-8,15H,2,9-14,16-17H2,1H3,(H3,27,28)(H3,29,30);3*1H