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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)OCCC3(CCN(CC3)C4=CC=NC=C4)OC(=O)O)C(=N)N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)OCCC3(CCN(CC3)C4=CC=NC=C4)OC(=O)O)C(=N)N

InChI

InChI=1S/C23H29N5O4/c24-21(25)28-11-5-17-1-2-20(15-18(17)16-28)31-14-8-23(32-22(29)30)6-12-27(13-7-23)19-3-9-26-10-4-19/h1-4,9-10,15H,5-8,11-14,16H2,(H3,24,25)(H,29,30)