2-chloranylethanamine; (5-ethyl-1,4-dimethyl-imidazol-1-ium-1-yl)-phenyl-methanone

Systemtic Name: 2-chloranylethanamine; (5-ethyl-1,4-dimethyl-imidazol-1-ium-1-yl)-phenyl-methanone Openeye Name: 2-chloroethanamine; (5-ethyl-1,4-dimethyl-imidazol-1-ium-1-yl)-phenyl-methanone CAS Name: 2-chloroethanamine; (5-ethyl-1,4-dimethyl-1-imidazol-1-iumyl)-phenylmethanone IUPAC Name: 2-chloroethanamine; (5-ethyl-1,4-dimethylimidazol-1-ium-1-yl)-phenylmethanone Traditional Name: 2-chloroethylamine; (5-ethyl-1,4-dimethyl-imidazol-1-ium-1-yl)-phenyl-methanone Formula: C16H23ClN3O+ MolecularWeight: 308.82632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C[N+]1(C)C(=O)C2=CC=CC=C2)C.C(CCl)N

Isomeric SMILES

CCC1=C(N=C[N+]1(C)C(=O)C2=CC=CC=C2)C.C(CCl)N

InChI

InChI=1S/C14H17N2O.C2H6ClN/c1-4-13-11(2)15-10-16(13,3)14(17)12-8-6-5-7-9-12;3-1-2-4/h5-10H,4H2,1-3H3;1-2,4H2/q+1;