[4-[(3-azanyl-4-chloranyl-phenyl)amino]-4-oxidanylidene-butyl]-dimethyl-azanium

Systemtic Name: [4-[(3-azanyl-4-chloranyl-phenyl)amino]-4-oxidanylidene-butyl]-dimethyl-azanium Openeye Name: [4-(3-amino-4-chloro-anilino)-4-oxo-butyl]-dimethyl-ammonium CAS Name: [4-(3-amino-4-chloroanilino)-4-oxobutyl]-dimethylammonium IUPAC Name: [4-(3-amino-4-chloroanilino)-4-oxobutyl]-dimethylazanium Traditional Name: [4-(3-amino-4-chloro-anilino)-4-keto-butyl]-dimethyl-ammonium Formula: C12H19ClN3O+ MolecularWeight: 256.75176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC(=O)NC1=CC(=C(C=C1)Cl)N

Isomeric SMILES

C[NH+](C)CCCC(=O)NC1=CC(=C(C=C1)Cl)N

InChI

InChI=1S/C12H18ClN3O/c1-16(2)7-3-4-12(17)15-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7,14H2,1-2H3,(H,15,17)/p+1