1-butyl-1-(2,3-dimethylphenyl)-4-[[1-(triphenylmethyl)imidazol-2-yl]methyl]piperazin-1-ium-2-one

Systemtic Name: 1-butyl-1-(2,3-dimethylphenyl)-4-[[1-(triphenylmethyl)imidazol-2-yl]methyl]piperazin-1-ium-2-one Openeye Name: 1-butyl-1-(2,3-dimethylphenyl)-4-[(1-tritylimidazol-2-yl)methyl]piperazin-1-ium-2-one CAS Name: 1-butyl-1-(2,3-dimethylphenyl)-4-[[1-(triphenylmethyl)-2-imidazolyl]methyl]-2-piperazin-1-iumone IUPAC Name: 1-butyl-1-(2,3-dimethylphenyl)-4-[(1-tritylimidazol-2-yl)methyl]piperazin-1-ium-2-one Traditional Name: 1-butyl-1-(2,3-dimethylphenyl)-4-[(1-tritylimidazol-2-yl)methyl]piperazin-1-ium-2-one Formula: C39H43N4O+ MolecularWeight: 583.78492

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(CC1=O)CC2=NC=CN2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC(=C6C)C

Isomeric SMILES

CCCC[N+]1(CCN(CC1=O)CC2=NC=CN2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC(=C6C)C

InChI

InChI=1S/C39H43N4O/c1-4-5-27-43(36-23-15-16-31(2)32(36)3)28-26-41(30-38(43)44)29-37-40-24-25-42(37)39(33-17-9-6-10-18-33,34-19-11-7-12-20-34)35-21-13-8-14-22-35/h6-25H,4-5,26-30H2,1-3H3/q+1