6-chloranyl-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one

Systemtic Name: 6-chloranyl-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one Openeye Name: 6-chloro-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]chromen-4-one CAS Name: 6-chloro-2-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]chromen-4-one Traditional Name: 6-chloro-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]chromone Formula: C22H22ClN2O4+ MolecularWeight: 413.87408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

InChI

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