1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one CAS Name: 1-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Traditional Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-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=C3C5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

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)30-23-11-6-18-4-2-3-5-22(18)25(19)23/h2-11,16H,12-15,17H2,1H3/p+1