6-chloranyl-7-ethyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-ethyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C23H26ClN2O3+ MolecularWeight: 413.91714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=C4OC)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=C4OC)Cl

InChI

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