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

Systemtic Name: [(2S)-butan-2-yl]-[(4-cyanophenyl)methyl]azanium Openeye Name: (4-cyanophenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(4-cyanophenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(4-cyanophenyl)methyl]azanium Traditional Name: (4-cyanobenzyl)-[(1S)-1-methylpropyl]ammonium Formula: C12H17N2+ MolecularWeight: 189.27678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2/c1-3-10(2)14-9-12-6-4-11(8-13)5-7-12/h4-7,10,14H,3,9H2,1-2H3/p+1/t10-/m0/s1