6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-chromen-7-olate Openeye Name: 6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(1-methylbenzimidazol-2-yl)-4-oxo-chromen-7-olate CAS Name: 6-ethyl-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3-(1-methyl-2-benzimidazolyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-olate Traditional Name: 6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-3-(1-methylbenzimidazol-2-yl)chromen-7-olate Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)C[NH+]5CCN(CC5)CCO)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)C[NH+]5CCN(CC5)CCO)[O-]

InChI

InChI=1S/C26H30N4O4/c1-3-17-14-18-24(33)20(26-27-21-6-4-5-7-22(21)28(26)2)16-34-25(18)19(23(17)32)15-30-10-8-29(9-11-30)12-13-31/h4-7,14,16,31-32H,3,8-13,15H2,1-2H3