7-[[1-[(2-aminophenyl)methyl]piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide trihydrochloride

Systemtic Name: 7-[[1-[(2-aminophenyl)methyl]piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide trihydrochloride Openeye Name: 7-[[1-[(2-aminophenyl)methyl]-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxamidine trihydrochloride CAS Name: 7-[[1-[(2-aminophenyl)methyl]-4-piperidinyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide trihydrochloride IUPAC Name: 7-[[1-[(2-aminophenyl)methyl]piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide trihydrochloride Traditional Name: 7-[[1-(2-aminobenzyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxamidine trihydrochloride Formula: C23H34Cl3N5O MolecularWeight: 502.90796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)CC4=CC=CC=C4N.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)CC4=CC=CC=C4N.Cl.Cl.Cl

InChI

InChI=1S/C23H31N5O.3ClH/c24-22-4-2-1-3-19(22)14-27-10-7-17(8-11-27)16-29-21-6-5-18-9-12-28(23(25)26)15-20(18)13-21;;;/h1-6,13,17H,7-12,14-16,24H2,(H3,25,26);3*1H