1-(2H-chromen-3-yl)-2-(1-phenylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2H-chromen-3-yl)-2-(1-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(2H-chromen-3-yl)-2-(1-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(2H-1-benzopyran-3-yl)-2-(1-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(2H-chromen-3-yl)-2-(1-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(2H-chromen-3-yl)-2-(1-phenylpiperazin-1-ium-1-yl)ethanone Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC(=O)C2=CC3=CC=CC=C3OC2)C4=CC=CC=C4

Isomeric SMILES

C1C[N+](CCN1)(CC(=O)C2=CC3=CC=CC=C3OC2)C4=CC=CC=C4

InChI

InChI=1S/C21H23N2O2/c24-20(18-14-17-6-4-5-9-21(17)25-16-18)15-23(12-10-22-11-13-23)19-7-2-1-3-8-19/h1-9,14,22H,10-13,15-16H2/q+1