4-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: 4-[(2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-4-ium-2-one Formula: C17H19N2O3+ MolecularWeight: 299.34436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)C[NH+]4CCNC(=O)C4

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)C[NH+]4CCNC(=O)C4

InChI

InChI=1S/C17H18N2O3/c20-16-10-19(5-4-18-16)9-13-8-17(21)22-15-7-12-3-1-2-11(12)6-14(13)15/h6-8H,1-5,9-10H2,(H,18,20)/p+1