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

Systemtic Name: 3-(4-chlorophenyl)-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C22H25ClN2O3+2 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CC[NH+](CC3)C)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CC[NH+](CC3)C)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN2O3/c1-14-17-7-8-19(26)18(13-25-11-9-24(2)10-12-25)21(17)28-22(27)20(14)15-3-5-16(23)6-4-15/h3-8,26H,9-13H2,1-2H3/p+2