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

Systemtic Name: 5-azanyl-6-chloranyl-8-[(1-pentylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate hydrochloride Openeye Name: 5-amino-6-chloro-8-[(1-pentyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate hydrochloride CAS Name: 5-amino-6-chloro-8-[(1-pentyl-4-piperidinyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate hydrochloride IUPAC Name: 5-amino-6-chloro-8-[(1-pentylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate hydrochloride Traditional Name: 5-amino-8-[(1-amyl-4-piperidyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-3-carboxylate hydrochloride Formula: C20H29Cl2N2O4- MolecularWeight: 432.36126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl.Cl

Isomeric SMILES

CCCCCN1CCC(CC1)CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl.Cl

InChI

InChI=1S/C20H29ClN2O4.ClH/c1-2-3-4-7-23-8-5-13(6-9-23)10-14-11-15(21)17(22)19-18(14)26-12-16(27-19)20(24)25;/h11,13,16H,2-10,12,22H2,1H3,(H,24,25);1H/p-1