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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=CC=CC=C2CC1OC3=CC=C(C=C3)[N+](=O)[O-].CNC.Cl.Cl

Isomeric SMILES

CCCN1CC2=CC=CC=C2CC1OC3=CC=C(C=C3)[N+](=O)[O-].CNC.Cl.Cl

InChI

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