[4-[[2-(azaniumylmethyl)phenyl]amino]-4-oxidanylidene-butyl]-butyl-methyl-azanium

Systemtic Name: [4-[[2-(azaniumylmethyl)phenyl]amino]-4-oxidanylidene-butyl]-butyl-methyl-azanium Openeye Name: [4-[2-(azaniumylmethyl)anilino]-4-oxo-butyl]-butyl-methyl-ammonium CAS Name: [4-[2-(ammoniomethyl)anilino]-4-oxobutyl]-butyl-methylammonium IUPAC Name: [4-[2-(azaniumylmethyl)anilino]-4-oxobutyl]-butyl-methylazanium Traditional Name: [4-[2-(ammoniomethyl)anilino]-4-keto-butyl]-butyl-methyl-ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CCCC(=O)NC1=CC=CC=C1C[NH3+]

Isomeric SMILES

CCCC[NH+](C)CCCC(=O)NC1=CC=CC=C1C[NH3+]

InChI

InChI=1S/C16H27N3O/c1-3-4-11-19(2)12-7-10-16(20)18-15-9-6-5-8-14(15)13-17/h5-6,8-9H,3-4,7,10-13,17H2,1-2H3,(H,18,20)/p+2