(3-carboxy-2-methoxy-4-oxidanylidene-4-pyridin-3-yl-butyl)-trimethyl-azanium

Systemtic Name: (3-carboxy-2-methoxy-4-oxidanylidene-4-pyridin-3-yl-butyl)-trimethyl-azanium Openeye Name: [3-carboxy-2-methoxy-4-oxo-4-(3-pyridyl)butyl]-trimethyl-ammonium CAS Name: [3-carboxy-2-methoxy-4-oxo-4-(3-pyridinyl)butyl]-trimethylammonium IUPAC Name: (3-carboxy-2-methoxy-4-oxo-4-pyridin-3-ylbutyl)-trimethylazanium Traditional Name: [3-carboxy-4-keto-2-methoxy-4-(3-pyridyl)butyl]-trimethyl-ammonium Formula: C14H21N2O4+ MolecularWeight: 281.32754

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(C(C(=O)C1=CN=CC=C1)C(=O)O)OC

Isomeric SMILES

C[N+](C)(C)CC(C(C(=O)C1=CN=CC=C1)C(=O)O)OC

InChI

InChI=1S/C14H20N2O4/c1-16(2,3)9-11(20-4)12(14(18)19)13(17)10-6-5-7-15-8-10/h5-8,11-12H,9H2,1-4H3/p+1