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

Systemtic Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-carbamimidoylphenyl)piperidin-4-yl] ethyl carbonate Openeye Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-carbamimidoylphenyl)-4-piperidyl] ethyl carbonate CAS Name: carbonic acid [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-carbamimidoylphenyl)-4-piperidinyl] ethyl ester IUPAC Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-carbamimidoylphenyl)piperidin-4-yl] ethyl carbonate Traditional Name: carbonic acid [4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(4-amidinophenyl)-4-piperidyl] ethyl ester Formula: C26H34N6O4 MolecularWeight: 494.58596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N6O4/c1-2-34-25(33)36-26(10-13-31(14-11-26)21-6-3-19(4-7-21)23(27)28)17-35-22-8-5-18-9-12-32(24(29)30)16-20(18)15-22/h3-8,15H,2,9-14,16-17H2,1H3,(H3,27,28)(H3,29,30)