tert-butyl N-(4-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-4-ium-7-yl)carbamate

Systemtic Name: tert-butyl N-(4-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-4-ium-7-yl)carbamate Openeye Name: tert-butyl N-[4-(3-pyridyl)-1,3-dihydropyrrolo[1,2-c]thiazol-4-ium-7-yl]carbamate CAS Name: N-[4-(3-pyridinyl)-1,3-dihydropyrrolo[1,2-c]thiazol-4-ium-7-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(4-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-4-ium-7-yl)carbamate Traditional Name: N-[4-(3-pyridyl)-1,3-dihydropyrrolo[1,2-c]thiazol-4-ium-7-yl]carbamic acid tert-butyl ester Formula: C16H20N3O2S+ MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C2CSC[N+]2(C=C1)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C2CSC[N+]2(C=C1)C3=CN=CC=C3

InChI

InChI=1S/C16H19N3O2S/c1-16(2,3)21-15(20)18-13-6-8-19(11-22-10-14(13)19)12-5-4-7-17-9-12/h4-9H,10-11H2,1-3H3/p+1