[(1S)-2-(2-methyl-1H-imidazol-3-ium-3-yl)-1-(4-methylphenyl)ethyl]azanium

Systemtic Name: [(1S)-2-(2-methyl-1H-imidazol-3-ium-3-yl)-1-(4-methylphenyl)ethyl]azanium Openeye Name: [(1S)-2-(2-methyl-1H-imidazol-3-ium-3-yl)-1-(p-tolyl)ethyl]ammonium CAS Name: [(1S)-2-(2-methyl-1H-imidazol-3-ium-3-yl)-1-(4-methylphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(2-methyl-1H-imidazol-3-ium-3-yl)-1-(4-methylphenyl)ethyl]azanium Traditional Name: [(1S)-2-(2-methyl-1H-imidazol-3-ium-3-yl)-1-(p-tolyl)ethyl]ammonium Formula: C13H19N3+2 MolecularWeight: 217.31006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[N+]2=C(NC=C2)C)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C[N+]2=C(NC=C2)C)[NH3+]

InChI

InChI=1S/C13H17N3/c1-10-3-5-12(6-4-10)13(14)9-16-8-7-15-11(16)2/h3-8,13H,9,14H2,1-2H3/p+2/t13-/m1/s1