2-[1-[[3-(4-methylphenyl)furan-2-yl]carbonylamino]piperidin-1-ium-1-yl]-2-phenyl-pentanoic acid

Systemtic Name: 2-[1-[[3-(4-methylphenyl)furan-2-yl]carbonylamino]piperidin-1-ium-1-yl]-2-phenyl-pentanoic acid Openeye Name: 2-phenyl-2-[1-[[3-(p-tolyl)furan-2-carbonyl]amino]piperidin-1-ium-1-yl]pentanoic acid CAS Name: 2-[1-[[[3-(4-methylphenyl)-2-furanyl]-oxomethyl]amino]-1-piperidin-1-iumyl]-2-phenylpentanoic acid IUPAC Name: 2-[1-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-ium-1-yl]-2-phenylpentanoic acid Traditional Name: 2-phenyl-2-[1-[[3-(p-tolyl)-2-furoyl]amino]piperidin-1-ium-1-yl]valeric acid Formula: C28H33N2O4+ MolecularWeight: 461.57262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)(C(=O)O)[N+]2(CCCCC2)NC(=O)C3=C(C=CO3)C4=CC=C(C=C4)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)(C(=O)O)[N+]2(CCCCC2)NC(=O)C3=C(C=CO3)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H32N2O4/c1-3-17-28(27(32)33,23-10-6-4-7-11-23)30(18-8-5-9-19-30)29-26(31)25-24(16-20-34-25)22-14-12-21(2)13-15-22/h4,6-7,10-16,20H,3,5,8-9,17-19H2,1-2H3,(H-,29,31,32,33)/p+1