8-methoxy-3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]carbonyl-6-nitro-chromen-2-one

Systemtic Name: 8-methoxy-3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]carbonyl-6-nitro-chromen-2-one Openeye Name: 8-methoxy-3-[4-(2-methylallyl)piperazin-4-ium-1-carbonyl]-6-nitro-chromen-2-one CAS Name: 8-methoxy-3-[[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-oxomethyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 8-methoxy-3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-carbonyl]-6-nitrochromen-2-one Traditional Name: 8-methoxy-3-[4-(2-methylallyl)piperazin-4-ium-1-carbonyl]-6-nitro-coumarin Formula: C19H22N3O6+ MolecularWeight: 388.39448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6/c1-12(2)11-20-4-6-21(7-5-20)18(23)15-9-13-8-14(22(25)26)10-16(27-3)17(13)28-19(15)24/h8-10H,1,4-7,11H2,2-3H3/p+1