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

Systemtic Name: (4-acetamidophenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (4-acetamidophenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (4-acetamidophenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (4-acetamidobenzyl)-[(1S)-1-methylbutyl]ammonium Formula: C14H23N2O+ MolecularWeight: 235.34522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O/c1-4-5-11(2)15-10-13-6-8-14(9-7-13)16-12(3)17/h6-9,11,15H,4-5,10H2,1-3H3,(H,16,17)/p+1/t11-/m0/s1