2-[[2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2,5-dimethyl-3-phenyl-6-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl-dimethyl-ammonium Formula: C25H30N5+ MolecularWeight: 400.5392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)NCC[NH+](C)C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)NCC[NH+](C)C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5/c1-18-22(17-20-11-7-5-8-12-20)24(26-15-16-29(3)4)30-25(27-18)23(19(2)28-30)21-13-9-6-10-14-21/h5-14,26H,15-17H2,1-4H3/p+1