methyl 2-[4-[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]carbonylpiperazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]carbonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-[1-(5-carbamimidoyl-2-pyridyl)piperidine-4-carbonyl]piperazin-1-yl]acetate CAS Name: 2-[4-[[1-(5-carbamimidoyl-2-pyridinyl)-4-piperidinyl]-oxomethyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[1-(5-carbamimidoylpyridin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[1-(5-amidino-2-pyridyl)isonipecotoyl]piperazino]acetic acid methyl ester Formula: C19H28N6O3 MolecularWeight: 388.46402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CN1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H28N6O3/c1-28-17(26)13-23-8-10-25(11-9-23)19(27)14-4-6-24(7-5-14)16-3-2-15(12-22-16)18(20)21/h2-3,12,14H,4-11,13H2,1H3,(H3,20,21)