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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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