(4-acetamidophenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: (4-acetamidophenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: (4-acetamidophenyl)methyl-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: (4-acetamidophenyl)methyl-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: (4-acetamidobenzyl)-[(1S)-1,4-dimethylpentyl]ammonium Formula: C16H27N2O+ MolecularWeight: 263.39838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-12(2)5-6-13(3)17-11-15-7-9-16(10-8-15)18-14(4)19/h7-10,12-13,17H,5-6,11H2,1-4H3,(H,18,19)/p+1/t13-/m0/s1