6-ethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethoxy-4-[[4-[(3-methoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethoxy-4-[(4-m-anisylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H28N2O4/c1-3-29-21-7-8-23-22(15-21)19(14-24(27)30-23)17-26-11-9-25(10-12-26)16-18-5-4-6-20(13-18)28-2/h4-8,13-15H,3,9-12,16-17H2,1-2H3/p+1