4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 7-methoxy-4-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C23H26N2O4/c1-3-28-21-7-5-4-6-20(21)25-12-10-24(11-13-25)16-17-14-23(26)29-22-15-18(27-2)8-9-19(17)22/h4-9,14-15H,3,10-13,16H2,1-2H3/p+1