7-ethyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C22H24N3O4+ MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4/c1-2-16-3-8-20-17(14-22(26)29-21(20)13-16)15-23-9-11-24(12-10-23)18-4-6-19(7-5-18)25(27)28/h3-8,13-14H,2,9-12,15H2,1H3/p+1