N'-[(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]butane-1,4-diamine trihydrochloride

Systemtic Name: N'-[(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]butane-1,4-diamine trihydrochloride Openeye Name: N'-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]butane-1,4-diamine trihydrochloride CAS Name: N'-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]butane-1,4-diamine trihydrochloride IUPAC Name: N'-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]butane-1,4-diamine trihydrochloride Traditional Name: 4-aminobutyl-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]amine trihydrochloride Formula: C14H25Cl3N4O MolecularWeight: 371.7335

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NC2=C(O1)C=CC(=C2)CNCCCCN)N.Cl.Cl.Cl

Isomeric SMILES

CC1C(=NC2=C(O1)C=CC(=C2)CNCCCCN)N.Cl.Cl.Cl

InChI

InChI=1S/C14H22N4O.3ClH/c1-10-14(16)18-12-8-11(4-5-13(12)19-10)9-17-7-3-2-6-15;;;/h4-5,8,10,17H,2-3,6-7,9,15H2,1H3,(H2,16,18);3*1H