5,7-dimethyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 5,7-dimethyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5,7-dimethyl-chromen-2-one CAS Name: 5,7-dimethyl-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5,7-dimethylchromen-2-one Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5,7-dimethyl-coumarin Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H26N2O2/c1-17-12-18(2)23-20(14-22(26)27-21(23)13-17)16-25-10-8-24(9-11-25)15-19-6-4-3-5-7-19/h3-7,12-14H,8-11,15-16H2,1-2H3/p+1