2-(aminomethyl)-3-[4-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]phenyl]-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one hydrochloride

Systemtic Name: 2-(aminomethyl)-3-[4-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]phenyl]-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one hydrochloride Openeye Name: 2-(aminomethyl)-3-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]-1-[3-(methoxymethyl)-1-piperidyl]propan-1-one hydrochloride CAS Name: 2-(aminomethyl)-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1-[3-(methoxymethyl)-1-piperidinyl]-1-propanone hydrochloride IUPAC Name: 2-(aminomethyl)-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one hydrochloride Traditional Name: 2-(aminomethyl)-3-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]-1-[3-(methoxymethyl)piperidino]propan-1-one hydrochloride Formula: C26H35Cl3N2O4 MolecularWeight: 545.9261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)CC(CN)C(=O)N3CCCC(C3)COC)Cl.Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)CC(CN)C(=O)N3CCCC(C3)COC)Cl.Cl

InChI

InChI=1S/C26H34Cl2N2O4.ClH/c1-18-12-23(27)25(24(28)13-18)34-11-10-33-22-7-5-19(6-8-22)14-21(15-29)26(31)30-9-3-4-20(16-30)17-32-2;/h5-8,12-13,20-21H,3-4,9-11,14-17,29H2,1-2H3;1H