(4-dimethylaminophenyl)methyl-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-[(4-dimethylaminophenyl)methyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzyl-3,5-dimethylpyrazol-4-yl)methyl-[(4-dimethylaminophenyl)methyl]azanium Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-[4-(dimethylamino)benzyl]ammonium Formula: C22H29N4+ MolecularWeight: 349.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH2+]CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH2+]CC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H28N4/c1-17-22(15-23-14-19-10-12-21(13-11-19)25(3)4)18(2)26(24-17)16-20-8-6-5-7-9-20/h5-13,23H,14-16H2,1-4H3/p+1