5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate; ethanedioate; 1-(3-methoxypropyl)-4-methyl-piperidin-3-ol

Systemtic Name: 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate; ethanedioate; 1-(3-methoxypropyl)-4-methyl-piperidin-3-ol Openeye Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate; 1-(3-methoxypropyl)-4-methyl-piperidin-3-ol; oxalate CAS Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylate; 1-(3-methoxypropyl)-4-methyl-3-piperidinol; oxalate IUPAC Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate; 1-(3-methoxypropyl)-4-methylpiperidin-3-ol; oxalate Traditional Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylate; 1-(3-methoxypropyl)-4-methyl-piperidin-3-ol; oxalate Formula: C21H28ClN2O10-3 MolecularWeight: 503.90742

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1O)CCCOC.C1COC2=C(O1)C(=CC(=C2N)Cl)C(=O)[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1CCN(CC1O)CCCOC.C1COC2=C(O1)C(=CC(=C2N)Cl)C(=O)[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C10H21NO2.C9H8ClNO4.C2H2O4/c1-9-4-6-11(8-10(9)12)5-3-7-13-2;10-5-3-4(9(12)13)7-8(6(5)11)15-2-1-14-7;3-1(4)2(5)6/h9-10,12H,3-8H2,1-2H3;3H,1-2,11H2,(H,12,13);(H,3,4)(H,5,6)/p-3