5-azanyl-6-chloranyl-8-[(1-octylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate hydrochloride

Systemtic Name: 5-azanyl-6-chloranyl-8-[(1-octylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate hydrochloride Openeye Name: 5-amino-6-chloro-8-[(1-octyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate hydrochloride CAS Name: 5-amino-6-chloro-8-[(1-octyl-4-piperidinyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate hydrochloride IUPAC Name: 5-amino-6-chloro-8-[(1-octylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate hydrochloride Traditional Name: 5-amino-6-chloro-8-[(1-octyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate hydrochloride Formula: C23H35Cl2N2O4- MolecularWeight: 474.441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl.Cl

Isomeric SMILES

CCCCCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl.Cl

InChI

InChI=1S/C23H35ClN2O4.ClH/c1-2-3-4-5-6-7-10-26-11-8-16(9-12-26)13-17-14-18(24)20(25)22-21(17)29-15-19(30-22)23(27)28;/h14,16,19H,2-13,15,25H2,1H3,(H,27,28);1H/p-1