[3-[[(2S)-pentan-2-yl]carbamoyl]phenyl]methylazanium

Systemtic Name: [3-[[(2S)-pentan-2-yl]carbamoyl]phenyl]methylazanium Openeye Name: [3-[[(1S)-1-methylbutyl]carbamoyl]phenyl]methylammonium CAS Name: [3-[oxo-[[(2S)-pentan-2-yl]amino]methyl]phenyl]methylammonium IUPAC Name: [3-[[(2S)-pentan-2-yl]carbamoyl]phenyl]methylazanium Traditional Name: [3-[[(1S)-1-methylbutyl]carbamoyl]benzyl]ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC(=CC=C1)C[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O/c1-3-5-10(2)15-13(16)12-7-4-6-11(8-12)9-14/h4,6-8,10H,3,5,9,14H2,1-2H3,(H,15,16)/p+1/t10-/m0/s1