2-[4-[2-[(4-butoxyphenyl)-methyl-amino]ethyl]-4-oxidanyl-piperidin-1-yl]-1-phenyl-ethanone dihydrochloride

Systemtic Name: 2-[4-[2-[(4-butoxyphenyl)-methyl-amino]ethyl]-4-oxidanyl-piperidin-1-yl]-1-phenyl-ethanone dihydrochloride Openeye Name: 2-[4-[2-(4-butoxy-N-methyl-anilino)ethyl]-4-hydroxy-1-piperidyl]-1-phenyl-ethanone dihydrochloride CAS Name: 2-[4-[2-(4-butoxy-N-methylanilino)ethyl]-4-hydroxy-1-piperidinyl]-1-phenylethanone dihydrochloride IUPAC Name: 2-[4-[2-(4-butoxy-N-methylanilino)ethyl]-4-hydroxypiperidin-1-yl]-1-phenylethanone dihydrochloride Traditional Name: 2-[4-[2-(4-butoxy-N-methyl-anilino)ethyl]-4-hydroxy-piperidino]-1-phenyl-ethanone dihydrochloride Formula: C26H38Cl2N2O3 MolecularWeight: 497.49752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N(C)CCC2(CCN(CC2)CC(=O)C3=CC=CC=C3)O.Cl.Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N(C)CCC2(CCN(CC2)CC(=O)C3=CC=CC=C3)O.Cl.Cl

InChI

InChI=1S/C26H36N2O3.2ClH/c1-3-4-20-31-24-12-10-23(11-13-24)27(2)17-14-26(30)15-18-28(19-16-26)21-25(29)22-8-6-5-7-9-22;;/h5-13,30H,3-4,14-21H2,1-2H3;2*1H