6,7-dimethyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-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:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

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