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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C(O1)C=CC(=C2)CNCC3=CC=C(C=C3)CN)N.Cl.Cl.Cl

Isomeric SMILES

CC1=C(NC2=C(O1)C=CC(=C2)CNCC3=CC=C(C=C3)CN)N.Cl.Cl.Cl

InChI

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