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

Systemtic Name: [(2R)-1-[[3-(azaniumylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-butyl-ethyl-azanium Openeye Name: [(1R)-2-[3-(azaniumylmethyl)anilino]-1-methyl-2-oxo-ethyl]-butyl-ethyl-ammonium CAS Name: [(2R)-1-[3-(ammoniomethyl)anilino]-1-oxopropan-2-yl]-butyl-ethylammonium IUPAC Name: [(2R)-1-[3-(azaniumylmethyl)anilino]-1-oxopropan-2-yl]-butyl-ethylazanium Traditional Name: [(1R)-2-[3-(ammoniomethyl)anilino]-2-keto-1-methyl-ethyl]-butyl-ethyl-ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O/c1-4-6-10-19(5-2)13(3)16(20)18-15-9-7-8-14(11-15)12-17/h7-9,11,13H,4-6,10,12,17H2,1-3H3,(H,18,20)/p+2/t13-/m1/s1