[(2S)-2-(3,4-dimethylphenyl)-3-methyl-butyl]azanium

Systemtic Name: [(2S)-2-(3,4-dimethylphenyl)-3-methyl-butyl]azanium Openeye Name: [(2S)-2-(3,4-dimethylphenyl)-3-methyl-butyl]ammonium CAS Name: [(2S)-2-(3,4-dimethylphenyl)-3-methylbutyl]ammonium IUPAC Name: [(2S)-2-(3,4-dimethylphenyl)-3-methylbutyl]azanium Traditional Name: [(2S)-2-(3,4-dimethylphenyl)-3-methyl-butyl]ammonium Formula: C13H22N+ MolecularWeight: 192.32048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C[NH3+])C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](C[NH3+])C(C)C)C

InChI

InChI=1S/C13H21N/c1-9(2)13(8-14)12-6-5-10(3)11(4)7-12/h5-7,9,13H,8,14H2,1-4H3/p+1/t13-/m0/s1