[4-[[3-(azaniumylmethyl)phenyl]amino]-4-oxidanylidene-butyl]-butyl-methyl-azanium

Systemtic Name: [4-[[3-(azaniumylmethyl)phenyl]amino]-4-oxidanylidene-butyl]-butyl-methyl-azanium Openeye Name: [4-[3-(azaniumylmethyl)anilino]-4-oxo-butyl]-butyl-methyl-ammonium CAS Name: [4-[3-(ammoniomethyl)anilino]-4-oxobutyl]-butyl-methylammonium IUPAC Name: [4-[3-(azaniumylmethyl)anilino]-4-oxobutyl]-butyl-methylazanium Traditional Name: [4-[3-(ammoniomethyl)anilino]-4-keto-butyl]-butyl-methyl-ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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