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

Systemtic Name: (4-aminocarbonylphenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (4-carbamoylphenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (4-carbamoylphenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (4-carbamoylphenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (4-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=C(C=C1)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O/c1-3-4-10(2)15-9-11-5-7-12(8-6-11)13(14)16/h5-8,10,15H,3-4,9H2,1-2H3,(H2,14,16)/p+1/t10-/m0/s1