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

Systemtic Name: 3-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-6-nitro-chromen-2-one Openeye Name: 3-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbonyl]-6-nitro-chromen-2-one CAS Name: 3-[[4-[2-(3-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-oxomethyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbonyl]-6-nitrochromen-2-one Traditional Name: 3-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbonyl]-6-nitro-coumarin Formula: C23H24N3O7+ MolecularWeight: 454.45256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

COC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C23H23N3O7/c1-31-18-3-2-4-19(15-18)32-12-11-24-7-9-25(10-8-24)22(27)20-14-16-13-17(26(29)30)5-6-21(16)33-23(20)28/h2-6,13-15H,7-12H2,1H3/p+1