1-(3-nitrophenyl)-2-[2-[(phenylmethyl)amino]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]ethanone

Systemtic Name: 1-(3-nitrophenyl)-2-[2-[(phenylmethyl)amino]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]ethanone Openeye Name: 2-[2-(benzylamino)-4,5-dihydrothiazol-3-ium-3-yl]-1-(3-nitrophenyl)ethanone CAS Name: 1-(3-nitrophenyl)-2-[2-[(phenylmethyl)amino]-4,5-dihydrothiazol-3-ium-3-yl]ethanone IUPAC Name: 2-[2-(benzylamino)-4,5-dihydro-1,3-thiazol-3-ium-3-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[2-(benzylamino)-2-thiazolin-3-ium-3-yl]-1-(3-nitrophenyl)ethanone Formula: C18H18N3O3S+ MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=[N+]1CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

C1CSC(=[N+]1CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c22-17(15-7-4-8-16(11-15)21(23)24)13-20-9-10-25-18(20)19-12-14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2/p+1