(3-cyanophenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium

Systemtic Name: (3-cyanophenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Openeye Name: (3-cyanophenyl)methyl-[(1S)-1,5-dimethylhexyl]ammonium CAS Name: (3-cyanophenyl)methyl-[(2S)-6-methylheptan-2-yl]ammonium IUPAC Name: (3-cyanophenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Traditional Name: (3-cyanobenzyl)-[(1S)-1,5-dimethylhexyl]ammonium Formula: C16H25N2+ MolecularWeight: 245.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2/c1-13(2)6-4-7-14(3)18-12-16-9-5-8-15(10-16)11-17/h5,8-10,13-14,18H,4,6-7,12H2,1-3H3/p+1/t14-/m0/s1