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

Systemtic Name: (4-methylphenyl)methyl-[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]-(p-tolylmethyl)ammonium CAS Name: (4-methylphenyl)methyl-[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]ammonium IUPAC Name: (4-methylphenyl)methyl-[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(propargylamino)ethyl]-(4-methylbenzyl)ammonium Formula: C14H19N2O+ MolecularWeight: 231.31346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O/c1-4-9-15-14(17)12(3)16-10-13-7-5-11(2)6-8-13/h1,5-8,12,16H,9-10H2,2-3H3,(H,15,17)/p+1/t12-/m0/s1