2-[(2E)-3-methyl-2-(2-methylindolizin-4-ium-3-ylidene)imidazol-1-yl]ethanal chloride

Systemtic Name: 2-[(2E)-3-methyl-2-(2-methylindolizin-4-ium-3-ylidene)imidazol-1-yl]ethanal chloride Openeye Name: 2-[(2E)-3-methyl-2-(2-methylindolizin-4-ium-3-ylidene)imidazol-1-yl]acetaldehyde chloride CAS Name: 2-[(2E)-3-methyl-2-(2-methyl-3-indolizin-4-iumylidene)-1-imidazolyl]acetaldehyde chloride IUPAC Name: 2-[(2E)-3-methyl-2-(2-methylindolizin-4-ium-3-ylidene)imidazol-1-yl]acetaldehyde chloride Traditional Name: 2-[(2E)-3-methyl-2-(2-methylindolizin-4-ium-3-ylidene)-4-imidazolin-1-yl]acetaldehyde chloride Formula: C15H16ClN3O MolecularWeight: 289.76004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=[N+]2C1=C3N(C=CN3CC=O)C.[Cl-]

Isomeric SMILES

CC\1=CC2=CC=CC=[N+]2/C1=C/3\N(C=CN3CC=O)C.[Cl-]

InChI

InChI=1S/C15H16N3O.ClH/c1-12-11-13-5-3-4-6-18(13)14(12)15-16(2)7-8-17(15)9-10-19;/h3-8,10-11H,9H2,1-2H3;1H/q+1;/p-1