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

Systemtic Name: [5-methyl-1-(phenylmethyl)pyrazol-4-yl]methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: (1-benzyl-5-methyl-pyrazol-4-yl)methyl-(3-pyridylmethyl)-(2-thienylmethyl)ammonium CAS Name: [5-methyl-1-(phenylmethyl)-4-pyrazolyl]methyl-(3-pyridinylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: (1-benzyl-5-methylpyrazol-4-yl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: (1-benzyl-5-methyl-pyrazol-4-yl)methyl-(3-pyridylmethyl)-(2-thenyl)ammonium Formula: C23H25N4S+ MolecularWeight: 389.5364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4S/c1-19-22(14-25-27(19)16-20-7-3-2-4-8-20)17-26(18-23-10-6-12-28-23)15-21-9-5-11-24-13-21/h2-14H,15-18H2,1H3/p+1