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

Systemtic Name: 6-chloranyl-4-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C22H23Cl2N2O2+ MolecularWeight: 418.33622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H22Cl2N2O2/c1-15-10-21-19(12-20(15)24)17(11-22(27)28-21)14-26-8-6-25(7-9-26)13-16-2-4-18(23)5-3-16/h2-5,10-12H,6-9,13-14H2,1H3/p+1