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

Systemtic Name: [(1S)-1-(4-ethylphenyl)-2-(2-methyl-1H-imidazol-3-ium-3-yl)ethyl]azanium Openeye Name: [(1S)-1-(4-ethylphenyl)-2-(2-methyl-1H-imidazol-3-ium-3-yl)ethyl]ammonium CAS Name: [(1S)-1-(4-ethylphenyl)-2-(2-methyl-1H-imidazol-3-ium-3-yl)ethyl]ammonium IUPAC Name: [(1S)-1-(4-ethylphenyl)-2-(2-methyl-1H-imidazol-3-ium-3-yl)ethyl]azanium Traditional Name: [(1S)-1-(4-ethylphenyl)-2-(2-methyl-1H-imidazol-3-ium-3-yl)ethyl]ammonium Formula: C14H21N3+2 MolecularWeight: 231.33664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C[N+]2=C(NC=C2)C)[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C[N+]2=C(NC=C2)C)[NH3+]

InChI

InChI=1S/C14H19N3/c1-3-12-4-6-13(7-5-12)14(15)10-17-9-8-16-11(17)2/h4-9,14H,3,10,15H2,1-2H3/p+2/t14-/m1/s1