1-[4-[2-oxidanyl-3-[(phenylmethyl)-propan-2-yl-amino]propoxy]phenyl]ethanone hydrochloride

Systemtic Name: 1-[4-[2-oxidanyl-3-[(phenylmethyl)-propan-2-yl-amino]propoxy]phenyl]ethanone hydrochloride Openeye Name: 1-[4-[3-[benzyl(isopropyl)amino]-2-hydroxy-propoxy]phenyl]ethanone hydrochloride CAS Name: 1-[4-[2-hydroxy-3-[(phenylmethyl)-propan-2-ylamino]propoxy]phenyl]ethanone hydrochloride IUPAC Name: 1-[4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]ethanone hydrochloride Traditional Name: 1-[4-[3-[benzyl(isopropyl)amino]-2-hydroxy-propoxy]phenyl]ethanone hydrochloride Formula: C21H28ClNO3 MolecularWeight: 377.90492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)CC(COC2=CC=C(C=C2)C(=O)C)O.Cl

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)CC(COC2=CC=C(C=C2)C(=O)C)O.Cl

InChI

InChI=1S/C21H27NO3.ClH/c1-16(2)22(13-18-7-5-4-6-8-18)14-20(24)15-25-21-11-9-19(10-12-21)17(3)23;/h4-12,16,20,24H,13-15H2,1-3H3;1H