[4-[(2-azanyl-5-chloranyl-phenyl)amino]-4-oxidanylidene-butyl]-dimethyl-azanium

Systemtic Name: [4-[(2-azanyl-5-chloranyl-phenyl)amino]-4-oxidanylidene-butyl]-dimethyl-azanium Openeye Name: [4-(2-amino-5-chloro-anilino)-4-oxo-butyl]-dimethyl-ammonium CAS Name: [4-(2-amino-5-chloroanilino)-4-oxobutyl]-dimethylammonium IUPAC Name: [4-(2-amino-5-chloroanilino)-4-oxobutyl]-dimethylazanium Traditional Name: [4-(2-amino-5-chloro-anilino)-4-keto-butyl]-dimethyl-ammonium Formula: C12H19ClN3O+ MolecularWeight: 256.75176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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