8-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 8-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 8-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-4-methyl-chromen-2-one CAS Name: 8-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-6-ethyl-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 8-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-4-methylchromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C25H31N2O4+ MolecularWeight: 423.52464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)C4=CC=CC=C4OCC)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)C4=CC=CC=C4OCC)O

InChI

InChI=1S/C25H30N2O4/c1-4-18-15-19-17(3)14-23(28)31-25(19)20(24(18)29)16-26-10-12-27(13-11-26)21-8-6-7-9-22(21)30-5-2/h6-9,14-15,29H,4-5,10-13,16H2,1-3H3/p+1