2-[(5-nitro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-phenyl-piperidin-1-amine hydrochloride

Systemtic Name: 2-[(5-nitro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-phenyl-piperidin-1-amine hydrochloride Openeye Name: 2-[(5-nitro-2,3-dihydrobenzofuran-7-yl)methyl]-2-phenyl-piperidin-1-amine hydrochloride CAS Name: 2-[(5-nitro-2,3-dihydrobenzofuran-7-yl)methyl]-2-phenyl-1-piperidinamine hydrochloride IUPAC Name: 2-[(5-nitro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-phenylpiperidin-1-amine hydrochloride Traditional Name: [2-[(5-nitrocoumaran-7-yl)methyl]-2-phenyl-piperidino]amine hydrochloride Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(CC2=C3C(=CC(=C2)[N+](=O)[O-])CCO3)C4=CC=CC=C4)N.Cl

Isomeric SMILES

C1CCN(C(C1)(CC2=C3C(=CC(=C2)[N+](=O)[O-])CCO3)C4=CC=CC=C4)N.Cl

InChI

InChI=1S/C20H23N3O3.ClH/c21-22-10-5-4-9-20(22,17-6-2-1-3-7-17)14-16-13-18(23(24)25)12-15-8-11-26-19(15)16;/h1-3,6-7,12-13H,4-5,8-11,14,21H2;1H