carboxy-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-dimethyl-azanium

Systemtic Name: carboxy-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-dimethyl-azanium Openeye Name: carboxy-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-dimethyl-ammonium CAS Name: carboxy-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-dimethylammonium IUPAC Name: carboxy-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-dimethylazanium Traditional Name: carboxy-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-dimethyl-ammonium Formula: C12H16NO4+ MolecularWeight: 238.25974

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=C2C(=CC=C1)OCCCO2)C(=O)O

Isomeric SMILES

C[N+](C)(C1=C2C(=CC=C1)OCCCO2)C(=O)O

InChI

InChI=1S/C12H15NO4/c1-13(2,12(14)15)9-5-3-6-10-11(9)17-8-4-7-16-10/h3,5-6H,4,7-8H2,1-2H3/p+1