N-methyl-1-oxidanidyl-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: N-methyl-1-oxidanidyl-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: N-methyl-1-oxido-N-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]pyridin-1-ium-3-carboxamide CAS Name: N-methyl-1-oxido-N-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-methyl-1-oxido-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: N-methyl-1-oxido-N-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]pyridin-1-ium-3-carboxamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)C(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)C(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C21H18N4O2S/c1-23(21(26)16-7-5-11-24(27)14-16)13-17-15-25(18-8-3-2-4-9-18)22-20(17)19-10-6-12-28-19/h2-12,14-15H,13H2,1H3