(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methyl-(2-thiophen-2-ylethyl)azanium

Systemtic Name: (1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methyl-(2-thiophen-2-ylethyl)azanium Openeye Name: [1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methyl-[2-(2-thienyl)ethyl]ammonium CAS Name: (1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methyl-(2-thiophen-2-ylethyl)ammonium IUPAC Name: (1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl-(2-thiophen-2-ylethyl)azanium Traditional Name: [1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methyl-[2-(2-thienyl)ethyl]ammonium Formula: C21H21N4S+ MolecularWeight: 361.48324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C[NH2+]CCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C[NH2+]CCC4=CC=CS4

InChI

InChI=1S/C21H20N4S/c1-2-5-19(6-3-1)25-16-18(15-23-13-10-20-7-4-14-26-20)21(24-25)17-8-11-22-12-9-17/h1-9,11-12,14,16,23H,10,13,15H2/p+1