5-azanyl-6-chloranyl-8-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 5-azanyl-6-chloranyl-8-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 5-amino-6-chloro-8-[(1-methyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 5-amino-6-chloro-8-[(1-methyl-4-piperidinyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 5-amino-6-chloro-8-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 5-amino-6-chloro-8-[(1-methyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C16H21ClN2O4 MolecularWeight: 340.80194

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl

Isomeric SMILES

CN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl

InChI

InChI=1S/C16H21ClN2O4/c1-19-4-2-9(3-5-19)6-10-7-11(17)13(18)15-14(10)22-8-12(23-15)16(20)21/h7,9,12H,2-6,8,18H2,1H3,(H,20,21)