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

Systemtic Name: 6-methyl-3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-methyl-chromen-4-one CAS Name: 6-methyl-3-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-methylchromen-4-one Traditional Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-methyl-chromone Formula: C22H25N2O2+ MolecularWeight: 349.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O2/c1-17-7-8-21-20(13-17)22(25)19(16-26-21)15-24-11-9-23(10-12-24)14-18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3/p+1