1-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]benzo[f]chromen-3-one Openeye Name: 1-[(4-acetylpiperazin-1-ium-1-yl)methyl]benzo[f]chromen-3-one CAS Name: 1-[(4-acetyl-1-piperazin-1-iumyl)methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4-acetylpiperazin-1-ium-1-yl)methyl]benzo[f]chromen-3-one Traditional Name: 1-[(4-acetylpiperazin-1-ium-1-yl)methyl]benzo[f]chromen-3-one Formula: C20H21N2O3+ MolecularWeight: 337.39234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C20H20N2O3/c1-14(23)22-10-8-21(9-11-22)13-16-12-19(24)25-18-7-6-15-4-2-3-5-17(15)20(16)18/h2-7,12H,8-11,13H2,1H3/p+1