4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[h]chromen-2-one

Systemtic Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[h]chromen-2-one Openeye Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[h]chromen-2-one CAS Name: 4-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-2-benzo[h][1]benzopyranone IUPAC Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[h]chromen-2-one Traditional Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[h]chromen-2-one Formula: C25H25N2O3+ MolecularWeight: 401.4776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC5=CC=CC=C54

InChI

InChI=1S/C25H24N2O3/c1-29-21-9-7-20(8-10-21)27-14-12-26(13-15-27)17-19-16-24(28)30-25-22-5-3-2-4-18(22)6-11-23(19)25/h2-11,16H,12-15,17H2,1H3/p+1