2-azanylethyl-dimethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium; propan-2-one; dihydrochloride

Systemtic Name: 2-azanylethyl-dimethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium; propan-2-one; dihydrochloride Openeye Name: acetone; 2-aminoethyl-dimethyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium; dihydrochloride CAS Name: 2-aminoethyl-dimethyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium; 2-propanone; dihydrochloride IUPAC Name: 2-aminoethyl-dimethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium; propan-2-one; dihydrochloride Traditional Name: acetone; 2-aminoethyl-dimethyl-(3,4,5-trimethoxybenzyl)ammonium; dihydrochloride Formula: C17H33Cl2N2O4+ MolecularWeight: 400.36092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C.C[N+](C)(CCN)CC1=CC(=C(C(=C1)OC)OC)OC.Cl.Cl

Isomeric SMILES

CC(=O)C.C[N+](C)(CCN)CC1=CC(=C(C(=C1)OC)OC)OC.Cl.Cl

InChI

InChI=1S/C14H25N2O3.C3H6O.2ClH/c1-16(2,7-6-15)10-11-8-12(17-3)14(19-5)13(9-11)18-4;1-3(2)4;;/h8-9H,6-7,10,15H2,1-5H3;1-2H3;2*1H/q+1;;;