4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5,7,8-trimethyl-chromen-2-one

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5,7,8-trimethyl-chromen-2-one Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5,7,8-trimethyl-chromen-2-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-5,7,8-trimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5,7,8-trimethylchromen-2-one Traditional Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5,7,8-trimethyl-coumarin Formula: C23H26ClN2O2+ MolecularWeight: 397.91774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C2=C1C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)C)C

InChI

InChI=1S/C23H25ClN2O2/c1-15-11-16(2)22-18(12-21(27)28-23(22)17(15)3)14-25-7-9-26(10-8-25)20-6-4-5-19(24)13-20/h4-6,11-13H,7-10,14H2,1-3H3/p+1