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

Systemtic Name: 4-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethyl-chromen-2-one Openeye Name: 4-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethyl-chromen-2-one CAS Name: 4-[[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-6-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethylchromen-2-one Traditional Name: 4-[[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-coumarin Formula: C23H26ClN2O2+ MolecularWeight: 397.91774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN2O2/c1-2-17-5-8-22-21(13-17)19(14-23(27)28-22)16-26-11-9-25(10-12-26)15-18-3-6-20(24)7-4-18/h3-8,13-14H,2,9-12,15-16H2,1H3/p+1