1-(5-methylthiophen-2-yl)-2-[3-[5-(3-phenoxypropyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone

Systemtic Name: 1-(5-methylthiophen-2-yl)-2-[3-[5-(3-phenoxypropyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone Openeye Name: 1-(5-methyl-2-thienyl)-2-[3-[5-(3-phenoxypropyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone CAS Name: 1-(5-methyl-2-thiophenyl)-2-[3-[5-(3-phenoxypropyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]ethanone IUPAC Name: 1-(5-methylthiophen-2-yl)-2-[3-[5-(3-phenoxypropyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone Traditional Name: 1-(5-methyl-2-thienyl)-2-[3-[5-(3-phenoxypropyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone Formula: C24H24N3O2S+ MolecularWeight: 418.53126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)CCCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)CCCOC4=CC=CC=C4

InChI

InChI=1S/C24H24N3O2S/c1-18-11-12-24(30-18)23(28)17-27-13-5-7-19(16-27)22-15-20(25-26-22)8-6-14-29-21-9-3-2-4-10-21/h2-5,7,9-13,15-16H,6,8,14,17H2,1H3,(H,25,26)/q+1