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

Systemtic Name: 4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C24H27N2O2+ MolecularWeight: 375.48338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)C[NH+]4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)C[NH+]4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H26N2O2/c27-24-15-21(22-13-19-7-4-8-20(19)14-23(22)28-24)17-26-11-9-25(10-12-26)16-18-5-2-1-3-6-18/h1-3,5-6,13-15H,4,7-12,16-17H2/p+1