[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: [3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-(3-pyridylmethyl)-(2-thienylmethyl)ammonium CAS Name: [3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl-(3-pyridinylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: (1-benzyl-3,5-dimethylpyrazol-4-yl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-(3-pyridylmethyl)-(2-thenyl)ammonium Formula: C24H27N4S+ MolecularWeight: 403.56298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH+](CC3=CN=CC=C3)CC4=CC=CS4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH+](CC3=CN=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C24H26N4S/c1-19-24(20(2)28(26-19)16-21-8-4-3-5-9-21)18-27(17-23-11-7-13-29-23)15-22-10-6-12-25-14-22/h3-14H,15-18H2,1-2H3/p+1