(3-aminocarbonylphenyl)methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: (3-aminocarbonylphenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (3-carbamoylphenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (3-carbamoylphenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (3-carbamoylphenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (3-carbamoylbenzyl)-[(1S)-1-methylbutyl]ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC1=CC=CC(=C1)C(=O)N

Isomeric SMILES

CCC[C@H](C)[NH2+]CC1=CC=CC(=C1)C(=O)N

InChI

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