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

Systemtic Name: 6-ethyl-8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-chromen-2-one CAS Name: 6-ethyl-7-hydroxy-8-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methylchromen-2-one Traditional Name: 6-ethyl-7-hydroxy-8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-coumarin Formula: C24H29N2O4+ MolecularWeight: 409.49806

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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=C(C=C4)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4/c1-4-17-14-20-16(2)13-22(27)30-24(20)21(23(17)28)15-25-9-11-26(12-10-25)18-5-7-19(29-3)8-6-18/h5-8,13-14,28H,4,9-12,15H2,1-3H3/p+1