(4-methylphenyl)methyl-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (4-methylphenyl)methyl-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]-(p-tolylmethyl)ammonium CAS Name: (4-methylphenyl)methyl-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: (4-methylphenyl)methyl-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl]-(4-methylbenzyl)ammonium Formula: C15H25N2O+ MolecularWeight: 249.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]C(C)C(=O)NCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+][C@@H](C)C(=O)NCC(C)C

InChI

InChI=1S/C15H24N2O/c1-11(2)9-17-15(18)13(4)16-10-14-7-5-12(3)6-8-14/h5-8,11,13,16H,9-10H2,1-4H3,(H,17,18)/p+1/t13-/m0/s1