2-[1-(2-acetamido-3-phenyl-propanoyl)pyrrolidin-1-ium-1-yl]-N-cyclohexyl-2-oxidanylidene-ethanamide

Systemtic Name: 2-[1-(2-acetamido-3-phenyl-propanoyl)pyrrolidin-1-ium-1-yl]-N-cyclohexyl-2-oxidanylidene-ethanamide Openeye Name: 2-[1-(2-acetamido-3-phenyl-propanoyl)pyrrolidin-1-ium-1-yl]-N-cyclohexyl-2-oxo-acetamide CAS Name: 2-[1-(2-acetamido-1-oxo-3-phenylpropyl)-1-pyrrolidin-1-iumyl]-N-cyclohexyl-2-oxoacetamide IUPAC Name: 2-[1-(2-acetamido-3-phenylpropanoyl)pyrrolidin-1-ium-1-yl]-N-cyclohexyl-2-oxoacetamide Traditional Name: 2-[1-(2-acetamido-3-phenyl-propanoyl)pyrrolidin-1-ium-1-yl]-N-cyclohexyl-2-keto-acetamide Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)[N+]2(CCCC2)C(=O)C(=O)NC3CCCCC3

Isomeric SMILES

CC(=O)NC(CC1=CC=CC=C1)C(=O)[N+]2(CCCC2)C(=O)C(=O)NC3CCCCC3

InChI

InChI=1S/C23H31N3O4/c1-17(27)24-20(16-18-10-4-2-5-11-18)22(29)26(14-8-9-15-26)23(30)21(28)25-19-12-6-3-7-13-19/h2,4-5,10-11,19-20H,3,6-9,12-16H2,1H3,(H-,24,25,27,28)/p+1