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

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5,7-dimethyl-chromen-2-one CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-5,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5,7-dimethylchromen-2-one Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5,7-dimethyl-coumarin Formula: C29H31N2O2+ MolecularWeight: 439.56864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H30N2O2/c1-21-17-22(2)28-25(19-27(32)33-26(28)18-21)20-30-13-15-31(16-14-30)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,17-19,29H,13-16,20H2,1-2H3/p+1