3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]chromen-4-one CAS Name: 3-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]chromen-4-one Traditional Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]chromone Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC3=CC=CC=C3C2=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC3=CC=CC=C3C2=O)CC4=CC=CC=C4

InChI

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