3-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]-1,3-thiazol-4-yl]propanoic acid

Systemtic Name: 3-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]-1,3-thiazol-4-yl]propanoic acid Openeye Name: 3-[2-[1-(4-carbamimidoylphenyl)-4-piperidyl]thiazol-4-yl]propanoic acid CAS Name: 3-[2-[1-(4-carbamimidoylphenyl)-4-piperidinyl]-4-thiazolyl]propanoic acid IUPAC Name: 3-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]-1,3-thiazol-4-yl]propanoic acid Traditional Name: 3-[2-[1-(4-amidinophenyl)-4-piperidyl]thiazol-4-yl]propionic acid Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H22N4O2S/c19-17(20)12-1-4-15(5-2-12)22-9-7-13(8-10-22)18-21-14(11-25-18)3-6-16(23)24/h1-2,4-5,11,13H,3,6-10H2,(H3,19,20)(H,23,24)