3-(4-chlorophenyl)-4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-2-one Openeye Name: 3-(4-chlorophenyl)-4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-2-one CAS Name: 3-(4-chlorophenyl)-4-methyl-7-[2-(4-methyl-1-piperazin-4-iumyl)ethoxy]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-2-one Traditional Name: 3-(4-chlorophenyl)-4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]coumarin Formula: C23H26ClN2O3+ MolecularWeight: 413.91714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCN3CC[NH+](CC3)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCN3CC[NH+](CC3)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN2O3/c1-16-20-8-7-19(28-14-13-26-11-9-25(2)10-12-26)15-21(20)29-23(27)22(16)17-3-5-18(24)6-4-17/h3-8,15H,9-14H2,1-2H3/p+1