4-oxidanylidene-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]butanoate Openeye Name: 4-oxo-4-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]butanoate CAS Name: 4-oxo-4-[4-(1-pyrrolidin-1-iumylmethyl)anilino]butanoate IUPAC Name: 4-oxo-4-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]butanoate Traditional Name: 4-keto-4-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]butyrate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C15H20N2O3/c18-14(7-8-15(19)20)16-13-5-3-12(4-6-13)11-17-9-1-2-10-17/h3-6H,1-2,7-11H2,(H,16,18)(H,19,20)