(2-methoxyphenyl)methyl-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: (2-methoxyphenyl)methyl-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: (2-methoxyphenyl)methyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-(2-thienylmethyl)ammonium CAS Name: (2-methoxyphenyl)methyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: (2-methoxyphenyl)methyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]-o-anisyl-(2-thenyl)ammonium Formula: C24H26N3O2S+ MolecularWeight: 420.54714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+](CC2=CC=CS2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C[NH+](CC2=CC=CS2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S/c1-29-23-12-6-5-10-20(23)16-26(17-21-11-7-15-30-21)18-24(28)27-14-13-22(25-27)19-8-3-2-4-9-19/h2-12,15H,13-14,16-18H2,1H3/p+1