4-(4-phenethylpiperazin-4-ium-1-yl)chromen-2-one

Systemtic Name: 4-(4-phenethylpiperazin-4-ium-1-yl)chromen-2-one Openeye Name: 4-(4-phenethylpiperazin-4-ium-1-yl)chromen-2-one CAS Name: 4-(4-phenethyl-1-piperazin-4-iumyl)-1-benzopyran-2-one IUPAC Name: 4-(4-phenethylpiperazin-4-ium-1-yl)chromen-2-one Traditional Name: 4-(4-phenethylpiperazin-4-ium-1-yl)coumarin Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C3=CC(=O)OC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C3=CC(=O)OC4=CC=CC=C43

InChI

InChI=1S/C21H22N2O2/c24-21-16-19(18-8-4-5-9-20(18)25-21)23-14-12-22(13-15-23)11-10-17-6-2-1-3-7-17/h1-9,16H,10-15H2/p+1