3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]coumarin Formula: C22H22ClN2O4+ MolecularWeight: 413.87408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

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