4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7,8-dimethyl-coumarin Formula: C29H31N2O2+ MolecularWeight: 439.56864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

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