8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(1H-quinolin-2-ylidene)chromene-2,7-dione

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(1H-quinolin-2-ylidene)chromene-2,7-dione Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(1H-quinolin-2-ylidene)chromene-2,7-dione CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3-(1H-quinolin-2-ylidene)-1-benzopyran-2,7-dione IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(1H-quinolin-2-ylidene)chromene-2,7-dione Traditional Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(1H-quinolin-2-ylidene)chromene-2,7-quinone Formula: C25H26N3O4+ MolecularWeight: 432.49164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C(=CC(=C4C=CC5=CC=CC=C5N4)C(=O)O3)C=CC2=O)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C(=CC(=C4C=CC5=CC=CC=C5N4)C(=O)O3)C=CC2=O)CCO

InChI

InChI=1S/C25H25N3O4/c29-14-13-27-9-11-28(12-10-27)16-20-23(30)8-6-18-15-19(25(31)32-24(18)20)22-7-5-17-3-1-2-4-21(17)26-22/h1-8,15,26,29H,9-14,16H2/p+1