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

Systemtic Name: 4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C21H23N2O3+ MolecularWeight: 351.41892

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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=C(C=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-15-2-7-19-16(13-21(25)26-20(19)12-15)14-22-8-10-23(11-9-22)17-3-5-18(24)6-4-17/h2-7,12-13,24H,8-11,14H2,1H3/p+1