[(3S,5S)-5-methylheptan-3-yl]-[(3-methylphenyl)methyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N/c1-5-13(3)11-16(6-2)17-12-15-9-7-8-14(4)10-15/h7-10,13,16-17H,5-6,11-12H2,1-4H3/p+1/t13-,16-/m0/s1