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

Systemtic Name: 5-azanyl-3-[(1-butylpiperidin-4-yl)methyl]-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate hydrochloride Openeye Name: 5-amino-3-[(1-butyl-4-piperidyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate hydrochloride CAS Name: 5-amino-3-[(1-butyl-4-piperidinyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylate hydrochloride IUPAC Name: 5-amino-3-[(1-butylpiperidin-4-yl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate hydrochloride Traditional Name: 5-amino-3-[(1-butyl-4-piperidyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylate hydrochloride Formula: C19H27Cl2N2O4- MolecularWeight: 418.33468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)CC2COC3=C(O2)C(=C(C=C3C(=O)[O-])Cl)N.Cl

Isomeric SMILES

CCCCN1CCC(CC1)CC2COC3=C(O2)C(=C(C=C3C(=O)[O-])Cl)N.Cl

InChI

InChI=1S/C19H27ClN2O4.ClH/c1-2-3-6-22-7-4-12(5-8-22)9-13-11-25-17-14(19(23)24)10-15(20)16(21)18(17)26-13;/h10,12-13H,2-9,11,21H2,1H3,(H,23,24);1H/p-1