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

Systemtic Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-ethylpiperidin-4-yl)piperidin-4-yl] ethyl carbonate Openeye Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-ethyl-4-piperidyl)-4-piperidyl] ethyl carbonate CAS Name: carbonic acid [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-ethyl-4-piperidinyl)-4-piperidinyl] ethyl ester IUPAC Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-ethylpiperidin-4-yl)piperidin-4-yl] ethyl carbonate Traditional Name: carbonic acid [4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(1-ethyl-4-piperidyl)-4-piperidyl] ethyl ester Formula: C26H41N5O4 MolecularWeight: 487.63484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)N2CCC(CC2)(COC3=CC4=C(CCN(C4)C(=N)N)C=C3)OC(=O)OCC

Isomeric SMILES

CCN1CCC(CC1)N2CCC(CC2)(COC3=CC4=C(CCN(C4)C(=N)N)C=C3)OC(=O)OCC

InChI

InChI=1S/C26H41N5O4/c1-3-29-12-8-22(9-13-29)30-15-10-26(11-16-30,35-25(32)33-4-2)19-34-23-6-5-20-7-14-31(24(27)28)18-21(20)17-23/h5-6,17,22H,3-4,7-16,18-19H2,1-2H3,(H3,27,28)