1-ethyl-2-methyl-3-prop-2-enyl-benzimidazol-1-ium-5-carbonitrile

Systemtic Name: 1-ethyl-2-methyl-3-prop-2-enyl-benzimidazol-1-ium-5-carbonitrile Openeye Name: 3-allyl-1-ethyl-2-methyl-benzimidazol-1-ium-5-carbonitrile CAS Name: 1-ethyl-2-methyl-3-prop-2-enyl-5-benzimidazol-1-iumcarbonitrile IUPAC Name: 1-ethyl-2-methyl-3-prop-2-enylbenzimidazol-1-ium-5-carbonitrile Traditional Name: 3-allyl-1-ethyl-2-methyl-benzimidazol-1-ium-5-carbonitrile Formula: C14H16N3+ MolecularWeight: 226.29694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C#N)CC=C)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C#N)CC=C)C

InChI

InChI=1S/C14H16N3/c1-4-8-17-11(3)16(5-2)13-7-6-12(10-15)9-14(13)17/h4,6-7,9H,1,5,8H2,2-3H3/q+1