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

Systemtic Name: 6-chloranyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-chloro-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C20H20ClN2O2+ MolecularWeight: 355.838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H19ClN2O2/c21-16-6-7-19-18(13-16)15(12-20(24)25-19)14-22-8-10-23(11-9-22)17-4-2-1-3-5-17/h1-7,12-13H,8-11,14H2/p+1