3-[4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl]propanoic acid dihydrochloride

Systemtic Name: 3-[4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl]propanoic acid dihydrochloride Openeye Name: 3-[4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]-3-pyridyl]propanoic acid dihydrochloride CAS Name: 3-[4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-3-pyridinyl]propanoic acid dihydrochloride IUPAC Name: 3-[4-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl]propanoic acid dihydrochloride Traditional Name: 3-[4-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]-3-pyridyl]propionic acid dihydrochloride Formula: C24H33Cl2N5O3 MolecularWeight: 510.45652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C4=C(C=NC=C4)CCC(=O)O.Cl.Cl

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C4=C(C=NC=C4)CCC(=O)O.Cl.Cl

InChI

InChI=1S/C24H31N5O3.2ClH/c25-24(26)29-12-8-18-1-3-21(13-20(18)15-29)32-16-17-6-10-28(11-7-17)22-5-9-27-14-19(22)2-4-23(30)31;;/h1,3,5,9,13-14,17H,2,4,6-8,10-12,15-16H2,(H3,25,26)(H,30,31);2*1H