2-azanyl-1-(4-oxidanylidenebutanoyl)-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 2-azanyl-1-(4-oxidanylidenebutanoyl)-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 2-amino-1-(4-oxobutanoyl)-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 2-amino-1-(1,4-dioxobutyl)-1-(3-phenylpropyl)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 2-amino-1-(4-oxobutanoyl)-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 2-amino-1-(4-ketobutanoyl)-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(CCCC2=CC=CC=C2)C(=O)CCC=O)(C(=O)O)N

Isomeric SMILES

C1CC([N+](C1)(CCCC2=CC=CC=C2)C(=O)CCC=O)(C(=O)O)N

InChI

InChI=1S/C18H24N2O4/c19-18(17(23)24)11-6-13-20(18,16(22)10-5-14-21)12-4-9-15-7-2-1-3-8-15/h1-3,7-8,14H,4-6,9-13,19H2/p+1