[(2S)-1-[butyl(methyl)amino]-1-oxidanylidene-propan-2-yl]-(4-ethoxyphenyl)azanium

Systemtic Name: [(2S)-1-[butyl(methyl)amino]-1-oxidanylidene-propan-2-yl]-(4-ethoxyphenyl)azanium Openeye Name: [(1S)-2-[butyl(methyl)amino]-1-methyl-2-oxo-ethyl]-(4-ethoxyphenyl)ammonium CAS Name: [(2S)-1-[butyl(methyl)amino]-1-oxopropan-2-yl]-(4-ethoxyphenyl)ammonium IUPAC Name: [(2S)-1-[butyl(methyl)amino]-1-oxopropan-2-yl]-(4-ethoxyphenyl)azanium Traditional Name: [(1S)-2-[butyl(methyl)amino]-2-keto-1-methyl-ethyl]-p-phenetyl-ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C(C)[NH2+]C1=CC=C(C=C1)OCC

Isomeric SMILES

CCCCN(C)C(=O)[C@H](C)[NH2+]C1=CC=C(C=C1)OCC

InChI

InChI=1S/C16H26N2O2/c1-5-7-12-18(4)16(19)13(3)17-14-8-10-15(11-9-14)20-6-2/h8-11,13,17H,5-7,12H2,1-4H3/p+1/t13-/m0/s1