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

Systemtic Name: (3-cyanophenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (3-cyanophenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (3-cyanophenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (3-cyanophenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (3-cyanobenzyl)-[(1S)-1-methylbutyl]ammonium Formula: C13H19N2+ MolecularWeight: 203.30336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2/c1-3-5-11(2)15-10-13-7-4-6-12(8-13)9-14/h4,6-8,11,15H,3,5,10H2,1-2H3/p+1/t11-/m0/s1