4-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-ethoxy-chromen-2-one

Systemtic Name: 4-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-ethoxy-chromen-2-one Openeye Name: 4-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-ethoxy-chromen-2-one CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-6-ethoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-6-ethoxychromen-2-one Traditional Name: 4-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-ethoxy-coumarin Formula: C23H26ClN2O3+ MolecularWeight: 413.91714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C23H25ClN2O3/c1-3-28-19-6-7-22-20(14-19)17(12-23(27)29-22)15-25-8-10-26(11-9-25)21-13-18(24)5-4-16(21)2/h4-7,12-14H,3,8-11,15H2,1-2H3/p+1