6-nitro-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6-nitro-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-nitro-chromen-2-one CAS Name: 6-nitro-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-nitrochromen-2-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-nitro-coumarin Formula: C21H20N3O5+ MolecularWeight: 394.4006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H19N3O5/c25-20(23-10-8-22(9-11-23)14-15-4-2-1-3-5-15)18-13-16-12-17(24(27)28)6-7-19(16)29-21(18)26/h1-7,12-13H,8-11,14H2/p+1