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

Systemtic Name: 4-methyl-7-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethoxy]chromen-2-one Openeye Name: 4-methyl-7-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethoxy]chromen-2-one CAS Name: 4-methyl-7-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethoxy]chromen-2-one Traditional Name: 4-methyl-7-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethoxy]coumarin Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCOC3=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCOC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

InChI=1S/C23H26N2O3/c1-17-4-3-5-19(14-17)25-10-8-24(9-11-25)12-13-27-20-6-7-21-18(2)15-23(26)28-22(21)16-20/h3-7,14-16H,8-13H2,1-2H3/p+1