6-[[[3-(aminomethyl)phenyl]methylamino]methyl]-2-methyl-2H-1,4-benzoxazin-3-amine trihydrochloride

Systemtic Name: 6-[[[3-(aminomethyl)phenyl]methylamino]methyl]-2-methyl-2H-1,4-benzoxazin-3-amine trihydrochloride Openeye Name: 6-[[[3-(aminomethyl)phenyl]methylamino]methyl]-2-methyl-2H-1,4-benzoxazin-3-amine trihydrochloride CAS Name: 6-[[[3-(aminomethyl)phenyl]methylamino]methyl]-2-methyl-2H-1,4-benzoxazin-3-amine trihydrochloride IUPAC Name: 6-[[[3-(aminomethyl)phenyl]methylamino]methyl]-2-methyl-2H-1,4-benzoxazin-3-amine trihydrochloride Traditional Name: (3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methyl-[3-(aminomethyl)benzyl]amine trihydrochloride Formula: C18H25Cl3N4O MolecularWeight: 419.7763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NC2=C(O1)C=CC(=C2)CNCC3=CC=CC(=C3)CN)N.Cl.Cl.Cl

Isomeric SMILES

CC1C(=NC2=C(O1)C=CC(=C2)CNCC3=CC=CC(=C3)CN)N.Cl.Cl.Cl

InChI

InChI=1S/C18H22N4O.3ClH/c1-12-18(20)22-16-8-15(5-6-17(16)23-12)11-21-10-14-4-2-3-13(7-14)9-19;;;/h2-8,12,21H,9-11,19H2,1H3,(H2,20,22);3*1H