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

Systemtic Name: 5-azanyl-6-chloranyl-8-[(1-hexylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate hydrochloride Openeye Name: 5-amino-6-chloro-8-[(1-hexyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate hydrochloride CAS Name: 5-amino-6-chloro-8-[(1-hexyl-4-piperidinyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate hydrochloride IUPAC Name: 5-amino-6-chloro-8-[(1-hexylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate hydrochloride Traditional Name: 5-amino-6-chloro-8-[(1-hexyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate hydrochloride Formula: C21H31Cl2N2O4- MolecularWeight: 446.38784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl.Cl

Isomeric SMILES

CCCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl.Cl

InChI

InChI=1S/C21H31ClN2O4.ClH/c1-2-3-4-5-8-24-9-6-14(7-10-24)11-15-12-16(22)18(23)20-19(15)27-13-17(28-20)21(25)26;/h12,14,17H,2-11,13,23H2,1H3,(H,25,26);1H/p-1