6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-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]-2-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]-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxo-chromen-7-olate CAS Name: 6-ethyl-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-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]-2-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-2-methyl-3-(1-methylbenzimidazol-2-yl)chromen-7-olate Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4N3C)C[NH+]5CCN(CC5)CCO)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4N3C)C[NH+]5CCN(CC5)CCO)[O-]

InChI

InChI=1S/C27H32N4O4/c1-4-18-15-19-25(34)23(27-28-21-7-5-6-8-22(21)29(27)3)17(2)35-26(19)20(24(18)33)16-31-11-9-30(10-12-31)13-14-32/h5-8,15,32-33H,4,9-14,16H2,1-3H3