[(2R)-1-[[3-(azaniumylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-butyl-methyl-azanium

Systemtic Name: [(2R)-1-[[3-(azaniumylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-butyl-methyl-azanium Openeye Name: [(1R)-2-[3-(azaniumylmethyl)anilino]-1-methyl-2-oxo-ethyl]-butyl-methyl-ammonium CAS Name: [(2R)-1-[3-(ammoniomethyl)anilino]-1-oxopropan-2-yl]-butyl-methylammonium IUPAC Name: [(2R)-1-[3-(azaniumylmethyl)anilino]-1-oxopropan-2-yl]-butyl-methylazanium Traditional Name: [(1R)-2-[3-(ammoniomethyl)anilino]-2-keto-1-methyl-ethyl]-butyl-methyl-ammonium Formula: C15H27N3O+2 MolecularWeight: 265.39438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3O/c1-4-5-9-18(3)12(2)15(19)17-14-8-6-7-13(10-14)11-16/h6-8,10,12H,4-5,9,11,16H2,1-3H3,(H,17,19)/p+2/t12-/m1/s1