[3-carboxy-2-(2-methylpropoxy)-4-oxidanylidene-4-pyridin-3-yl-butyl]-trimethyl-azanium

Systemtic Name: [3-carboxy-2-(2-methylpropoxy)-4-oxidanylidene-4-pyridin-3-yl-butyl]-trimethyl-azanium Openeye Name: [3-carboxy-2-isobutoxy-4-oxo-4-(3-pyridyl)butyl]-trimethyl-ammonium CAS Name: [3-carboxy-2-(2-methylpropoxy)-4-oxo-4-(3-pyridinyl)butyl]-trimethylammonium IUPAC Name: [3-carboxy-2-(2-methylpropoxy)-4-oxo-4-pyridin-3-ylbutyl]-trimethylazanium Traditional Name: [3-carboxy-2-isobutoxy-4-keto-4-(3-pyridyl)butyl]-trimethyl-ammonium Formula: C17H27N2O4+ MolecularWeight: 323.40728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4/c1-12(2)11-23-14(10-19(3,4)5)15(17(21)22)16(20)13-7-6-8-18-9-13/h6-9,12,14-15H,10-11H2,1-5H3/p+1