3-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-6-nitro-chromen-2-one

Systemtic Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-6-nitro-chromen-2-one Openeye Name: 3-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-6-nitro-chromen-2-one CAS Name: 3-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-6-nitrochromen-2-one Traditional Name: 3-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-6-nitro-coumarin Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C20H23N3O5/c24-19(22-10-8-21(9-11-22)15-4-2-1-3-5-15)17-13-14-12-16(23(26)27)6-7-18(14)28-20(17)25/h6-7,12-13,15H,1-5,8-11H2/p+1