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

Systemtic Name: 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate; ethanedioate; methane; 1-(3-methoxypropyl)piperidin-3-ol Openeye Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate; methane; 1-(3-methoxypropyl)piperidin-3-ol; oxalate CAS Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylate; methane; 1-(3-methoxypropyl)-3-piperidinol; oxalate IUPAC Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate; methane; 1-(3-methoxypropyl)piperidin-3-ol; oxalate Traditional Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylate; methane; 1-(3-methoxypropyl)piperidin-3-ol; oxalate Formula: C21H30ClN2O10-3 MolecularWeight: 505.9233

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Descriptors Computed from Structure

Canonical SMILES:

C.COCCCN1CCCC(C1)O.C1COC2=C(O1)C(=CC(=C2N)Cl)C(=O)[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C.COCCCN1CCCC(C1)O.C1COC2=C(O1)C(=CC(=C2N)Cl)C(=O)[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C9H8ClNO4.C9H19NO2.C2H2O4.CH4/c10-5-3-4(9(12)13)7-8(6(5)11)15-2-1-14-7;1-12-7-3-6-10-5-2-4-9(11)8-10;3-1(4)2(5)6;/h3H,1-2,11H2,(H,12,13);9,11H,2-8H2,1H3;(H,3,4)(H,5,6);1H4/p-3