8-methoxy-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-6-nitro-chromen-2-one

Systemtic Name: 8-methoxy-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-6-nitro-chromen-2-one Openeye Name: 8-methoxy-3-(4-methylpiperazin-4-ium-1-carbonyl)-6-nitro-chromen-2-one CAS Name: 8-methoxy-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 8-methoxy-3-(4-methylpiperazin-4-ium-1-carbonyl)-6-nitrochromen-2-one Traditional Name: 8-methoxy-3-(4-methylpiperazin-4-ium-1-carbonyl)-6-nitro-coumarin Formula: C16H18N3O6+ MolecularWeight: 348.33062

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6/c1-17-3-5-18(6-4-17)15(20)12-8-10-7-11(19(22)23)9-13(24-2)14(10)25-16(12)21/h7-9H,3-6H2,1-2H3/p+1