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

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(1H-pyridin-2-ylidene)chromene-2,7-dione Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(1H-pyridin-2-ylidene)chromene-2,7-dione CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3-(1H-pyridin-2-ylidene)-1-benzopyran-2,7-dione IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(1H-pyridin-2-ylidene)chromene-2,7-dione Traditional Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(1H-pyridin-2-ylidene)chromene-2,7-quinone Formula: C21H24N3O4+ MolecularWeight: 382.43296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C(=CC(=C4C=CC=CN4)C(=O)O3)C=CC2=O)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C(=CC(=C4C=CC=CN4)C(=O)O3)C=CC2=O)CCO

InChI

InChI=1S/C21H23N3O4/c25-12-11-23-7-9-24(10-8-23)14-17-19(26)5-4-15-13-16(21(27)28-20(15)17)18-3-1-2-6-22-18/h1-6,13,22,25H,7-12,14H2/p+1