2-[4-[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[1-(5-carbamimidoyl-2-pyridyl)piperidine-4-carbonyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[[1-(5-carbamimidoyl-2-pyridinyl)-4-piperidinyl]-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[1-(5-carbamimidoylpyridin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[1-(5-amidino-2-pyridyl)isonipecotoyl]piperazino]acetic acid Formula: C18H26N6O3 MolecularWeight: 374.43744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC(=O)O)C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC(=O)O)C3=NC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H26N6O3/c19-17(20)14-1-2-15(21-11-14)23-5-3-13(4-6-23)18(27)24-9-7-22(8-10-24)12-16(25)26/h1-2,11,13H,3-10,12H2,(H3,19,20)(H,25,26)