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

Systemtic Name: 3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-6-nitro-chromen-2-one Openeye Name: 3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-carbonyl]-6-nitro-chromen-2-one CAS Name: 3-[[4-[2-(4-methylphenoxy)ethyl]-1-piperazin-4-iumyl]-oxomethyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-carbonyl]-6-nitrochromen-2-one Traditional Name: 3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-carbonyl]-6-nitro-coumarin Formula: C23H24N3O6+ MolecularWeight: 438.45316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C23H23N3O6/c1-16-2-5-19(6-3-16)31-13-12-24-8-10-25(11-9-24)22(27)20-15-17-14-18(26(29)30)4-7-21(17)32-23(20)28/h2-7,14-15H,8-13H2,1H3/p+1