4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-coumarin Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4O)C

InChI

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