4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 7-hydroxy-8-methyl-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(=C4C)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4C)O

InChI

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