[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]-[(2S)-pentan-2-yl]azanium

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]-[(2S)-pentan-2-yl]azanium Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl]-[(1S)-1-methylbutyl]ammonium CAS Name: [2-(3-methylanilino)-2-oxoethyl]-[(2S)-pentan-2-yl]ammonium IUPAC Name: [2-(3-methylanilino)-2-oxoethyl]-[(2S)-pentan-2-yl]azanium Traditional Name: [2-keto-2-(m-toluidino)ethyl]-[(1S)-1-methylbutyl]ammonium Formula: C14H23N2O+ MolecularWeight: 235.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC(=O)NC1=CC=CC(=C1)C

Isomeric SMILES

CCC[C@H](C)[NH2+]CC(=O)NC1=CC=CC(=C1)C

InChI

InChI=1S/C14H22N2O/c1-4-6-12(3)15-10-14(17)16-13-8-5-7-11(2)9-13/h5,7-9,12,15H,4,6,10H2,1-3H3,(H,16,17)/p+1/t12-/m0/s1