(3-cyanophenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: (3-cyanophenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: (3-cyanophenyl)methyl-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: (3-cyanophenyl)methyl-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: (3-cyanophenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: (3-cyanobenzyl)-[(1S)-1,4-dimethylpentyl]ammonium Formula: C15H23N2+ MolecularWeight: 231.35652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2/c1-12(2)7-8-13(3)17-11-15-6-4-5-14(9-15)10-16/h4-6,9,12-13,17H,7-8,11H2,1-3H3/p+1/t13-/m0/s1