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

Systemtic Name: 4-[[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[[4-[2-(4-pyridyl)ethyl]piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[4-(2-pyridin-4-ylethyl)-1-piperazin-1-iumyl]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[4-[2-(4-pyridyl)ethyl]piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)C[NH+]4CCN(CC4)CCC5=CC=NC=C5

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)C[NH+]4CCN(CC4)CCC5=CC=NC=C5

InChI

InChI=1S/C24H27N3O2/c28-24-16-21(22-14-19-2-1-3-20(19)15-23(22)29-24)17-27-12-10-26(11-13-27)9-6-18-4-7-25-8-5-18/h4-5,7-8,14-16H,1-3,6,9-13,17H2/p+1