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

Systemtic Name: bis(azanyl)methylidene-[[3-chloranyl-4-(3-methylbutoxy)phenyl]methyl]azanium Openeye Name: (3-chloro-4-isopentyloxy-phenyl)methyl-(diaminomethylene)ammonium CAS Name: [3-chloro-4-(3-methylbutoxy)phenyl]methyl-(diaminomethylidene)ammonium IUPAC Name: [3-chloro-4-(3-methylbutoxy)phenyl]methyl-(diaminomethylidene)azanium Traditional Name: (3-chloro-4-isoamoxy-benzyl)-(diaminomethylene)ammonium Formula: C13H21ClN3O+ MolecularWeight: 270.77834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C[NH+]=C(N)N)Cl

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C[NH+]=C(N)N)Cl

InChI

InChI=1S/C13H20ClN3O/c1-9(2)5-6-18-12-4-3-10(7-11(12)14)8-17-13(15)16/h3-4,7,9H,5-6,8H2,1-2H3,(H4,15,16,17)/p+1