1-phenyl-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-1-ium-4-ylidene)methyl]methanamine

Systemtic Name: 1-phenyl-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-1-ium-4-ylidene)methyl]methanamine Openeye Name: 1-phenyl-N-[[1-phenyl-3-(2-thienyl)pyrazol-1-ium-4-ylidene]methyl]methanamine CAS Name: 1-phenyl-N-[(1-phenyl-3-thiophen-2-yl-4-pyrazol-1-iumylidene)methyl]methanamine IUPAC Name: 1-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-1-ium-4-ylidene)methyl]methanamine Traditional Name: benzyl-[[1-phenyl-3-(2-thienyl)pyrazol-1-ium-4-ylidene]methyl]amine Formula: C21H18N3S+ MolecularWeight: 344.45272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC=C2C=[N+](N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC=C2C=[N+](N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3S/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/h1-13,15-16H,14H2/p+1