4-[4-(phenylmethyl)piperazin-4-ium-1-yl]chromen-2-one

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]chromen-2-one Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)chromen-2-one CAS Name: 4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-benzopyran-2-one IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)chromen-2-one Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)coumarin Formula: C20H21N2O2+ MolecularWeight: 321.39294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=O)OC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=O)OC4=CC=CC=C43

InChI

InChI=1S/C20H20N2O2/c23-20-14-18(17-8-4-5-9-19(17)24-20)22-12-10-21(11-13-22)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2/p+1