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

Systemtic Name: 7-[2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 7-[2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethoxy]chromen-2-one CAS Name: 7-[2-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 7-[2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethoxy]chromen-2-one Traditional Name: 7-[2-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-2-keto-ethoxy]coumarin Formula: C22H22ClN2O4+ MolecularWeight: 413.87408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C22H21ClN2O4/c23-18-5-1-16(2-6-18)14-24-9-11-25(12-10-24)21(26)15-28-19-7-3-17-4-8-22(27)29-20(17)13-19/h1-8,13H,9-12,14-15H2/p+1