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

Systemtic Name: 3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]carbonyl-6-nitro-chromen-2-one Openeye Name: 3-[4-(2-methylallyl)piperazin-4-ium-1-carbonyl]-6-nitro-chromen-2-one CAS Name: 3-[[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-oxomethyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-carbonyl]-6-nitrochromen-2-one Traditional Name: 3-[4-(2-methylallyl)piperazin-4-ium-1-carbonyl]-6-nitro-coumarin Formula: C18H20N3O5+ MolecularWeight: 358.3685

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC(=C)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C18H19N3O5/c1-12(2)11-19-5-7-20(8-6-19)17(22)15-10-13-9-14(21(24)25)3-4-16(13)26-18(15)23/h3-4,9-10H,1,5-8,11H2,2H3/p+1