6-chloranyl-7-oxidanyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-oxidanyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C20H20ClN2O3+ MolecularWeight: 371.8374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O)C4=CC=CC=C4

InChI

InChI=1S/C20H19ClN2O3/c21-17-11-16-14(10-20(25)26-19(16)12-18(17)24)13-22-6-8-23(9-7-22)15-4-2-1-3-5-15/h1-5,10-12,24H,6-9,13H2/p+1