N-methylmethanamine; 5-(2-nitrophenyl)-3-propyl-furan-2-carboximidamide; hydrate; dihydrochloride

Systemtic Name: N-methylmethanamine; 5-(2-nitrophenyl)-3-propyl-furan-2-carboximidamide; hydrate; dihydrochloride Openeye Name: N-methylmethanamine; 5-(2-nitrophenyl)-3-propyl-furan-2-carboxamidine; hydrate; dihydrochloride CAS Name: N-methylmethanamine; 5-(2-nitrophenyl)-3-propyl-2-furancarboximidamide; hydrate; dihydrochloride IUPAC Name: N-methylmethanamine; 5-(2-nitrophenyl)-3-propylfuran-2-carboximidamide; hydrate; dihydrochloride Traditional Name: dimethylamine; 5-(2-nitrophenyl)-3-propyl-furan-2-carboxamidine; hydrate; dihydrochloride Formula: C16H26Cl2N4O4 MolecularWeight: 409.30804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC(=C1)C2=CC=CC=C2[N+](=O)[O-])C(=N)N.CNC.O.Cl.Cl

Isomeric SMILES

CCCC1=C(OC(=C1)C2=CC=CC=C2[N+](=O)[O-])C(=N)N.CNC.O.Cl.Cl

InChI

InChI=1S/C14H15N3O3.C2H7N.2ClH.H2O/c1-2-5-9-8-12(20-13(9)14(15)16)10-6-3-4-7-11(10)17(18)19;1-3-2;;;/h3-4,6-8H,2,5H2,1H3,(H3,15,16);3H,1-2H3;2*1H;1H2