[(2S,3S)-1-[(4-ethanoylphenyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-1-[(4-ethanoylphenyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[(4-acetylphenyl)carbamoyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-(4-acetylanilino)-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-(4-acetylanilino)-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[(4-acetylphenyl)carbamoyl]-2-methyl-butyl]ammonium Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)C)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[NH3+]

InChI

InChI=1S/C14H20N2O2/c1-4-9(2)13(15)14(18)16-12-7-5-11(6-8-12)10(3)17/h5-9,13H,4,15H2,1-3H3,(H,16,18)/p+1/t9-,13-/m0/s1