3-[4-[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[4-(5-carbamimidoyl-2-pyridyl)piperazin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[4-(5-carbamimidoyl-2-pyridinyl)-1-piperazinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[4-(5-amidino-2-pyridyl)piperazino]phenyl]propionic acid Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)CCC(=O)O)C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)CCC(=O)O)C3=NC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H23N5O2/c20-19(21)15-4-7-17(22-13-15)24-11-9-23(10-12-24)16-5-1-14(2-6-16)3-8-18(25)26/h1-2,4-7,13H,3,8-12H2,(H3,20,21)(H,25,26)