4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Systemtic Name: 4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C22H25N3O2+2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H23N3O2/c26-22-14-18(19-12-16-4-3-5-17(16)13-20(19)27-22)15-24-8-10-25(11-9-24)21-6-1-2-7-23-21/h1-2,6-7,12-14H,3-5,8-11,15H2/p+2