bis(azanyl)methylidene-[[3-chloranyl-4-(2-methylpropoxy)phenyl]methyl]azanium

Systemtic Name: bis(azanyl)methylidene-[[3-chloranyl-4-(2-methylpropoxy)phenyl]methyl]azanium Openeye Name: (3-chloro-4-isobutoxy-phenyl)methyl-(diaminomethylene)ammonium CAS Name: [3-chloro-4-(2-methylpropoxy)phenyl]methyl-(diaminomethylidene)ammonium IUPAC Name: [3-chloro-4-(2-methylpropoxy)phenyl]methyl-(diaminomethylidene)azanium Traditional Name: (3-chloro-4-isobutoxy-benzyl)-(diaminomethylene)ammonium Formula: C12H19ClN3O+ MolecularWeight: 256.75176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C[NH+]=C(N)N)Cl

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C[NH+]=C(N)N)Cl

InChI

InChI=1S/C12H18ClN3O/c1-8(2)7-17-11-4-3-9(5-10(11)13)6-16-12(14)15/h3-5,8H,6-7H2,1-2H3,(H4,14,15,16)/p+1