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

Systemtic Name: 6-chloranyl-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C21H22ClN2O3+ MolecularWeight: 385.86398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=C4O)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=C4O)Cl

InChI

InChI=1S/C21H21ClN2O3/c1-14-10-20-16(12-17(14)22)15(11-21(26)27-20)13-23-6-8-24(9-7-23)18-4-2-3-5-19(18)25/h2-5,10-12,25H,6-9,13H2,1H3/p+1