[(1S,2R)-1-azanyl-1-(4-methylphenyl)propan-2-yl]-butyl-ethyl-azanium

Systemtic Name: [(1S,2R)-1-azanyl-1-(4-methylphenyl)propan-2-yl]-butyl-ethyl-azanium Openeye Name: [(1R,2S)-2-amino-1-methyl-2-(p-tolyl)ethyl]-butyl-ethyl-ammonium CAS Name: [(1S,2R)-1-amino-1-(4-methylphenyl)propan-2-yl]-butyl-ethylammonium IUPAC Name: [(1S,2R)-1-amino-1-(4-methylphenyl)propan-2-yl]-butyl-ethylazanium Traditional Name: [(1R,2S)-2-amino-1-methyl-2-(p-tolyl)ethyl]-butyl-ethyl-ammonium Formula: C16H29N2+ MolecularWeight: 249.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)C(C)C(C1=CC=C(C=C1)C)N

Isomeric SMILES

CCCC[NH+](CC)[C@H](C)[C@H](C1=CC=C(C=C1)C)N

InChI

InChI=1S/C16H28N2/c1-5-7-12-18(6-2)14(4)16(17)15-10-8-13(3)9-11-15/h8-11,14,16H,5-7,12,17H2,1-4H3/p+1/t14-,16-/m1/s1