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

Systemtic Name: [(2S)-1-[(3-ethynylphenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[(3-ethynylphenyl)carbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-(3-ethynylanilino)-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-(3-ethynylanilino)-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[(3-ethynylphenyl)carbamoyl]-3-methyl-butyl]ammonium Formula: C14H19N2O+ MolecularWeight: 231.31346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O/c1-4-11-6-5-7-12(9-11)16-14(17)13(15)8-10(2)3/h1,5-7,9-10,13H,8,15H2,2-3H3,(H,16,17)/p+1/t13-/m0/s1