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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O/c1-4-10(3)13(15)14(17)16-12-8-6-7-11(5-2)9-12/h2,6-10,13H,4,15H2,1,3H3,(H,16,17)/p+1/t10-,13-/m0/s1