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

Systemtic Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methylpyridin-4-yl)piperidin-4-yl] ethyl carbonate Openeye Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methyl-4-pyridyl)-4-piperidyl] ethyl carbonate CAS Name: carbonic acid [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methyl-4-pyridinyl)-4-piperidinyl] ethyl ester IUPAC Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methylpyridin-4-yl)piperidin-4-yl] ethyl carbonate Traditional Name: carbonic acid [4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(2-methyl-4-pyridyl)-4-piperidyl] ethyl ester Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1(CCN(CC1)C2=CC(=NC=C2)C)COC3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

CCOC(=O)OC1(CCN(CC1)C2=CC(=NC=C2)C)COC3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

InChI=1S/C25H33N5O4/c1-3-32-24(31)34-25(8-12-29(13-9-25)21-6-10-28-18(2)14-21)17-33-22-5-4-19-7-11-30(23(26)27)16-20(19)15-22/h4-6,10,14-15H,3,7-9,11-13,16-17H2,1-2H3,(H3,26,27)