6-chloranyl-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one CAS Name: 6-chloro-4-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5,7-dimethyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethylchromen-2-one Traditional Name: 6-chloro-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-coumarin Formula: C23H26ClN2O3+ MolecularWeight: 413.91714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H25ClN2O3/c1-15-12-20-22(16(2)23(15)24)17(13-21(27)29-20)14-25-8-10-26(11-9-25)18-4-6-19(28-3)7-5-18/h4-7,12-13H,8-11,14H2,1-3H3/p+1