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

Systemtic Name: 3-cyclohexylpropanamide; 2-[1-[[3-(4-methylphenyl)furan-2-yl]carbonylamino]piperidin-1-ium-1-yl]-2-phenyl-pentanoic acid Openeye Name: 3-cyclohexylpropanamide; 2-phenyl-2-[1-[[3-(p-tolyl)furan-2-carbonyl]amino]piperidin-1-ium-1-yl]pentanoic acid CAS Name: 3-cyclohexylpropanamide; 2-[1-[[[3-(4-methylphenyl)-2-furanyl]-oxomethyl]amino]-1-piperidin-1-iumyl]-2-phenylpentanoic acid IUPAC Name: 3-cyclohexylpropanamide; 2-[1-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-ium-1-yl]-2-phenylpentanoic acid Traditional Name: 3-cyclohexylpropionamide; 2-phenyl-2-[1-[[3-(p-tolyl)-2-furoyl]amino]piperidin-1-ium-1-yl]valeric acid Formula: C37H50N3O5+ MolecularWeight: 616.81

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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.C1CCC(CC1)CCC(=O)N

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.C1CCC(CC1)CCC(=O)N

InChI

InChI=1S/C28H32N2O4.C9H17NO/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;10-9(11)7-6-8-4-2-1-3-5-8/h4,6-7,10-16,20H,3,5,8-9,17-19H2,1-2H3,(H-,29,31,32,33);8H,1-7H2,(H2,10,11)/p+1