N-methylmethanamine; 4-(4-nitrophenoxy)-2-propyl-3,4-dihydro-1H-isoquinoline; dihydrochloride

Systemtic Name: N-methylmethanamine; 4-(4-nitrophenoxy)-2-propyl-3,4-dihydro-1H-isoquinoline; dihydrochloride Openeye Name: N-methylmethanamine; 4-(4-nitrophenoxy)-2-propyl-3,4-dihydro-1H-isoquinoline; dihydrochloride CAS Name: N-methylmethanamine; 4-(4-nitrophenoxy)-2-propyl-3,4-dihydro-1H-isoquinoline; dihydrochloride IUPAC Name: N-methylmethanamine; 4-(4-nitrophenoxy)-2-propyl-3,4-dihydro-1H-isoquinoline; dihydrochloride Traditional Name: dimethylamine; 4-(4-nitrophenoxy)-2-propyl-3,4-dihydro-1H-isoquinoline; dihydrochloride Formula: C20H29Cl2N3O3 MolecularWeight: 430.36856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(C2=CC=CC=C2C1)OC3=CC=C(C=C3)[N+](=O)[O-].CNC.Cl.Cl

Isomeric SMILES

CCCN1CC(C2=CC=CC=C2C1)OC3=CC=C(C=C3)[N+](=O)[O-].CNC.Cl.Cl

InChI

InChI=1S/C18H20N2O3.C2H7N.2ClH/c1-2-11-19-12-14-5-3-4-6-17(14)18(13-19)23-16-9-7-15(8-10-16)20(21)22;1-3-2;;/h3-10,18H,2,11-13H2,1H3;3H,1-2H3;2*1H