(phenylmethyl)-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azanium

Systemtic Name: (phenylmethyl)-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azanium Openeye Name: benzyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium CAS Name: (phenylmethyl)-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]ammonium IUPAC Name: benzyl-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]azanium Traditional Name: benzyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium Formula: C21H20N3S+ MolecularWeight: 346.4686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3S/c1-3-8-17(9-4-1)14-22-15-18-16-24(19-10-5-2-6-11-19)23-21(18)20-12-7-13-25-20/h1-13,16,22H,14-15H2/p+1