2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-oxidanyl-ethyl]phenol hydrochloride

Systemtic Name: 2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-oxidanyl-ethyl]phenol hydrochloride Openeye Name: 2-[2-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]amino]-1-hydroxy-ethyl]phenol hydrochloride CAS Name: 2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]phenol hydrochloride IUPAC Name: 2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]phenol hydrochloride Traditional Name: 2-[2-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]amino]-1-hydroxy-ethyl]phenol hydrochloride Formula: C18H22ClNO4 MolecularWeight: 351.82458

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)NCC(C3=CC=CC=C3O)O.Cl

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OCO2)NCC(C3=CC=CC=C3O)O.Cl

InChI

InChI=1S/C18H21NO4.ClH/c1-12(8-13-6-7-17-18(9-13)23-11-22-17)19-10-16(21)14-4-2-3-5-15(14)20;/h2-7,9,12,16,19-21H,8,10-11H2,1H3;1H