[(2S)-4-(3,4-dimethylphenyl)butan-2-yl]azanium

Systemtic Name: [(2S)-4-(3,4-dimethylphenyl)butan-2-yl]azanium Openeye Name: [(1S)-3-(3,4-dimethylphenyl)-1-methyl-propyl]ammonium CAS Name: [(2S)-4-(3,4-dimethylphenyl)butan-2-yl]ammonium IUPAC Name: [(2S)-4-(3,4-dimethylphenyl)butan-2-yl]azanium Traditional Name: [(1S)-3-(3,4-dimethylphenyl)-1-methyl-propyl]ammonium Formula: C12H20N+ MolecularWeight: 178.2939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N/c1-9-4-6-12(8-10(9)2)7-5-11(3)13/h4,6,8,11H,5,7,13H2,1-3H3/p+1/t11-/m0/s1