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

Systemtic Name: [(2S)-6-methylheptan-2-yl]-[(3-methylphenyl)methyl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-(m-tolylmethyl)ammonium CAS Name: [(2S)-6-methylheptan-2-yl]-[(3-methylphenyl)methyl]ammonium IUPAC Name: [(2S)-6-methylheptan-2-yl]-[(3-methylphenyl)methyl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-(3-methylbenzyl)ammonium Formula: C16H28N+ MolecularWeight: 234.40022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N/c1-13(2)7-5-9-15(4)17-12-16-10-6-8-14(3)11-16/h6,8,10-11,13,15,17H,5,7,9,12H2,1-4H3/p+1/t15-/m0/s1