2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]ethanone

Systemtic Name: 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]ethanone Openeye Name: 2-[2-(2-ethoxyphenyl)thiazol-4-yl]-1-[2-(isopropylamino)pyridin-1-ium-1-yl]ethanone CAS Name: 2-[2-(2-ethoxyphenyl)-4-thiazolyl]-1-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]ethanone IUPAC Name: 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]ethanone Traditional Name: 1-[2-(isopropylamino)pyridin-1-ium-1-yl]-2-(2-o-phenetylthiazol-4-yl)ethanone Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)[N+]3=CC=CC=C3NC(C)C

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)[N+]3=CC=CC=C3NC(C)C

InChI

InChI=1S/C21H23N3O2S/c1-4-26-18-10-6-5-9-17(18)21-23-16(14-27-21)13-20(25)24-12-8-7-11-19(24)22-15(2)3/h5-12,14-15H,4,13H2,1-3H3/p+1