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

Systemtic Name: [(2S)-1-[butyl(methyl)amino]-1-oxidanylidene-propan-2-yl]-(4-propan-2-ylphenyl)azanium Openeye Name: [(1S)-2-[butyl(methyl)amino]-1-methyl-2-oxo-ethyl]-(4-isopropylphenyl)ammonium CAS Name: [(2S)-1-[butyl(methyl)amino]-1-oxopropan-2-yl]-(4-propan-2-ylphenyl)ammonium IUPAC Name: [(2S)-1-[butyl(methyl)amino]-1-oxopropan-2-yl]-(4-propan-2-ylphenyl)azanium Traditional Name: [(1S)-2-[butyl(methyl)amino]-2-keto-1-methyl-ethyl]-p-cumenyl-ammonium Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O/c1-6-7-12-19(5)17(20)14(4)18-16-10-8-15(9-11-16)13(2)3/h8-11,13-14,18H,6-7,12H2,1-5H3/p+1/t14-/m0/s1