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

Systemtic Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-4-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-26-18-4-2-3-16(12-18)23-9-7-22(8-10-23)14-15-11-21(25)27-20-13-17(24)5-6-19(15)20/h2-6,11-13,24H,7-10,14H2,1H3/p+1