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

Systemtic Name: (3-carboxy-4-oxidanylidene-2-phenylmethoxy-4-pyridin-3-yl-butyl)-trimethyl-azanium Openeye Name: [2-benzyloxy-3-carboxy-4-oxo-4-(3-pyridyl)butyl]-trimethyl-ammonium CAS Name: [3-carboxy-4-oxo-2-phenylmethoxy-4-(3-pyridinyl)butyl]-trimethylammonium IUPAC Name: (3-carboxy-4-oxo-2-phenylmethoxy-4-pyridin-3-ylbutyl)-trimethylazanium Traditional Name: [2-benzoxy-3-carboxy-4-keto-4-(3-pyridyl)butyl]-trimethyl-ammonium Formula: C20H25N2O4+ MolecularWeight: 357.4235

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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)OCC2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)CC(C(C(=O)C1=CN=CC=C1)C(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O4/c1-22(2,3)13-17(26-14-15-8-5-4-6-9-15)18(20(24)25)19(23)16-10-7-11-21-12-16/h4-12,17-18H,13-14H2,1-3H3/p+1