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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N/c1-4-5-6-7-10-15(3)17-13-16-11-8-9-14(2)12-16/h8-9,11-12,15,17H,4-7,10,13H2,1-3H3/p+1/t15-/m0/s1