(2,4-dimethylphenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(2,4-dimethylphenyl)methyl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: (2,4-dimethylbenzyl)-[(1S)-1,4-dimethylpentyl]ammonium Formula: C16H28N+ MolecularWeight: 234.40022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N/c1-12(2)6-8-15(5)17-11-16-9-7-13(3)10-14(16)4/h7,9-10,12,15,17H,6,8,11H2,1-5H3/p+1/t15-/m0/s1