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

Systemtic Name: 1-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one CAS Name: 1-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Traditional Name: 1-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Formula: C25H25N2O3+ MolecularWeight: 401.4776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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