[2-[[3-(azaniumylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-butyl-methyl-azanium

Systemtic Name: [2-[[3-(azaniumylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-butyl-methyl-azanium Openeye Name: [2-[3-(azaniumylmethyl)anilino]-2-oxo-ethyl]-butyl-methyl-ammonium CAS Name: [2-[3-(ammoniomethyl)anilino]-2-oxoethyl]-butyl-methylammonium IUPAC Name: [2-[3-(azaniumylmethyl)anilino]-2-oxoethyl]-butyl-methylazanium Traditional Name: [2-[3-(ammoniomethyl)anilino]-2-keto-ethyl]-butyl-methyl-ammonium Formula: C14H25N3O+2 MolecularWeight: 251.3678

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC(=O)NC1=CC=CC(=C1)C[NH3+]

Isomeric SMILES

CCCC[NH+](C)CC(=O)NC1=CC=CC(=C1)C[NH3+]

InChI

InChI=1S/C14H23N3O/c1-3-4-8-17(2)11-14(18)16-13-7-5-6-12(9-13)10-15/h5-7,9H,3-4,8,10-11,15H2,1-2H3,(H,16,18)/p+2