1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one CAS Name: 1-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Traditional Name: 1-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]benzo[f]chromen-3-one Formula: C26H27N2O3+ MolecularWeight: 415.50418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C26H26N2O3/c1-2-30-23-10-6-5-9-22(23)28-15-13-27(14-16-28)18-20-17-25(29)31-24-12-11-19-7-3-4-8-21(19)26(20)24/h3-12,17H,2,13-16,18H2,1H3/p+1