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

Systemtic Name: [2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl] methyl carbonate Openeye Name: [2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]-3-pyridyl] methyl carbonate CAS Name: carbonic acid [2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-3-pyridinyl] methyl ester IUPAC Name: [2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl] methyl carbonate Traditional Name: carbonic acid [2-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]-3-pyridyl] methyl ester Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=C(N=CC=C1)N2CCC(CC2)COC3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

COC(=O)OC1=C(N=CC=C1)N2CCC(CC2)COC3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

InChI=1S/C23H29N5O4/c1-30-23(29)32-20-3-2-9-26-21(20)27-10-6-16(7-11-27)15-31-19-5-4-17-8-12-28(22(24)25)14-18(17)13-19/h2-5,9,13,16H,6-8,10-12,14-15H2,1H3,(H3,24,25)