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

Systemtic Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H24N2O3/c1-16-6-7-20-17(13-22(25)27-21(20)12-16)15-23-8-10-24(11-9-23)18-4-3-5-19(14-18)26-2/h3-7,12-14H,8-11,15H2,1-2H3/p+1