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

Systemtic Name: [(2S)-heptan-2-yl]-[(3-methylphenyl)methyl]azanium Openeye Name: [(1S)-1-methylhexyl]-(m-tolylmethyl)ammonium CAS Name: [(2S)-heptan-2-yl]-[(3-methylphenyl)methyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-[(3-methylphenyl)methyl]azanium Traditional Name: (3-methylbenzyl)-[(1S)-1-methylhexyl]ammonium Formula: C15H26N+ MolecularWeight: 220.37364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N/c1-4-5-6-9-14(3)16-12-15-10-7-8-13(2)11-15/h7-8,10-11,14,16H,4-6,9,12H2,1-3H3/p+1/t14-/m0/s1