carboxy-methyl-(2-oxidanylidenebutyl)-phenyl-azanium

Systemtic Name: carboxy-methyl-(2-oxidanylidenebutyl)-phenyl-azanium Openeye Name: carboxy-methyl-(2-oxobutyl)-phenyl-ammonium CAS Name: carboxy-methyl-(2-oxobutyl)-phenylammonium IUPAC Name: carboxy-methyl-(2-oxobutyl)-phenylazanium Traditional Name: carboxy-(2-ketobutyl)-methyl-phenyl-ammonium Formula: C12H16NO3+ MolecularWeight: 222.26034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-3-11(14)9-13(2,12(15)16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3/p+1