[3-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylphenyl)methanone hydrochloride

Systemtic Name: [3-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylphenyl)methanone hydrochloride Openeye Name: [3-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(p-tolyl)methanone hydrochloride CAS Name: [3-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylphenyl)methanone hydrochloride IUPAC Name: [3-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylphenyl)methanone hydrochloride Traditional Name: [3-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(p-tolyl)methanone hydrochloride Formula: C28H37ClN2O3 MolecularWeight: 485.05798

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC2CCC(C1)N2C(=O)C3=CC=C(C=C3)C)CC4COC5=CC=CC=C5O4.Cl

Isomeric SMILES

CCCN(CC1CC2CCC(C1)N2C(=O)C3=CC=C(C=C3)C)CC4COC5=CC=CC=C5O4.Cl

InChI

InChI=1S/C28H36N2O3.ClH/c1-3-14-29(18-25-19-32-26-6-4-5-7-27(26)33-25)17-21-15-23-12-13-24(16-21)30(23)28(31)22-10-8-20(2)9-11-22;/h4-11,21,23-25H,3,12-19H2,1-2H3;1H