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

Systemtic Name: [2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl] hydrogen carbonate Openeye Name: [2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]-3-pyridyl] hydrogen carbonate CAS Name: carbonic acid [2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-3-pyridinyl] ester IUPAC Name: [2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [2-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]-3-pyridyl] ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C4=C(C=CC=N4)OC(=O)O

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C4=C(C=CC=N4)OC(=O)O

InChI

InChI=1S/C22H27N5O4/c23-21(24)27-11-7-16-3-4-18(12-17(16)13-27)30-14-15-5-9-26(10-6-15)20-19(31-22(28)29)2-1-8-25-20/h1-4,8,12,15H,5-7,9-11,13-14H2,(H3,23,24)(H,28,29)