bis[(1-carbamimidoylpiperidin-3-yl)methyl] heptanedioate

Systemtic Name: bis[(1-carbamimidoylpiperidin-3-yl)methyl] heptanedioate Openeye Name: bis[(1-carbamimidoyl-3-piperidyl)methyl] heptanedioate CAS Name: heptanedioic acid bis[(1-carbamimidoyl-3-piperidinyl)methyl] ester IUPAC Name: bis[(1-carbamimidoylpiperidin-3-yl)methyl] heptanedioate Traditional Name: pimelic acid bis[(1-amidino-3-piperidyl)methyl] ester Formula: C21H38N6O4 MolecularWeight: 438.56422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)COC(=O)CCCCCC(=O)OCC2CCCN(C2)C(=N)N

Isomeric SMILES

C1CC(CN(C1)C(=N)N)COC(=O)CCCCCC(=O)OCC2CCCN(C2)C(=N)N

InChI

InChI=1S/C21H38N6O4/c22-20(23)26-10-4-6-16(12-26)14-30-18(28)8-2-1-3-9-19(29)31-15-17-7-5-11-27(13-17)21(24)25/h16-17H,1-15H2,(H3,22,23)(H3,24,25)