6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 6-ethyl-2-methyl-3-(1-methyl-2-benzimidazolyl)-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 6-ethyl-4-keto-2-methyl-3-(1-methylbenzimidazol-2-yl)-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C26H29N3O3 MolecularWeight: 431.52676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4N3C)C[NH+]5CCCCC5)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4N3C)C[NH+]5CCCCC5)[O-]

InChI

InChI=1S/C26H29N3O3/c1-4-17-14-18-24(31)22(26-27-20-10-6-7-11-21(20)28(26)3)16(2)32-25(18)19(23(17)30)15-29-12-8-5-9-13-29/h6-7,10-11,14,30H,4-5,8-9,12-13,15H2,1-3H3