(4-acetamidophenyl)methyl-[(2S)-butan-2-yl]azanium

Systemtic Name: (4-acetamidophenyl)methyl-[(2S)-butan-2-yl]azanium Openeye Name: (4-acetamidophenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: (4-acetamidophenyl)methyl-[(2S)-butan-2-yl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[(2S)-butan-2-yl]azanium Traditional Name: (4-acetamidobenzyl)-[(1S)-1-methylpropyl]ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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