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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H26N2O3/c1-3-17-4-9-21-18(15-23(26)28-22(21)14-17)16-24-10-12-25(13-11-24)19-5-7-20(27-2)8-6-19/h4-9,14-15H,3,10-13,16H2,1-2H3/p+1