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

Systemtic Name: 3-[[2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2,5-dimethyl-3-phenyl-6-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl-dimethyl-ammonium Formula: C26H32N5+ MolecularWeight: 414.56578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5/c1-19-23(18-21-12-7-5-8-13-21)25(27-16-11-17-30(3)4)31-26(28-19)24(20(2)29-31)22-14-9-6-10-15-22/h5-10,12-15,27H,11,16-18H2,1-4H3/p+1