(2,4-dimethylphenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[(2,4-dimethylphenyl)methyl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-[(2S)-6-methylheptan-2-yl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Traditional Name: (2,4-dimethylbenzyl)-[(1S)-1,5-dimethylhexyl]ammonium Formula: C17H30N+ MolecularWeight: 248.4268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N/c1-13(2)7-6-8-16(5)18-12-17-10-9-14(3)11-15(17)4/h9-11,13,16,18H,6-8,12H2,1-5H3/p+1/t16-/m0/s1