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

Systemtic Name: 6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-methoxy-4-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=C(C=C4)OC

InChI

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