[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methylpyridin-4-yl)piperidin-4-yl] methyl carbonate

Systemtic Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methylpyridin-4-yl)piperidin-4-yl] methyl carbonate Openeye Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methyl-4-pyridyl)-4-piperidyl] methyl carbonate CAS Name: carbonic acid [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methyl-4-pyridinyl)-4-piperidinyl] methyl ester IUPAC Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methylpyridin-4-yl)piperidin-4-yl] methyl carbonate Traditional Name: carbonic acid [4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methyl-4-pyridyl)-4-piperidyl] methyl ester Formula: C24H31N5O4 MolecularWeight: 453.53404

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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)OC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O4/c1-17-13-20(5-9-27-17)28-11-7-24(8-12-28,33-23(30)31-2)16-32-21-4-3-18-6-10-29(22(25)26)15-19(18)14-21/h3-5,9,13-14H,6-8,10-12,15-16H2,1-2H3,(H3,25,26)