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

Systemtic Name: 7-methoxy-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H24N2O4/c1-26-18-5-3-4-17(13-18)24-10-8-23(9-11-24)15-16-12-22(25)28-21-14-19(27-2)6-7-20(16)21/h3-7,12-14H,8-11,15H2,1-2H3/p+1