3-(4-chlorophenyl)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C21H23ClN2O3+2 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=C(C=C4)Cl)O

InChI

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