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

Systemtic Name: 6-chloranyl-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C17H22ClN2O3+ MolecularWeight: 337.82118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O3/c1-12-8-16-14(10-15(12)18)13(9-17(22)23-16)11-20-4-2-19(3-5-20)6-7-21/h8-10,21H,2-7,11H2,1H3/p+1