3-tert-butyl-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: 3-tert-butyl-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 3-tert-butyl-4-(4-chlorophenyl)-N-(cyclopropylmethyl)thiazol-3-ium-2-amine CAS Name: 3-tert-butyl-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-thiazol-3-iumamine IUPAC Name: 3-tert-butyl-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-tert-butyl-4-(4-chlorophenyl)thiazol-3-ium-2-yl]-(cyclopropylmethyl)amine Formula: C17H22ClN2S+ MolecularWeight: 321.88798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=C(SC=C1C2=CC=C(C=C2)Cl)NCC3CC3

Isomeric SMILES

CC(C)(C)[N+]1=C(SC=C1C2=CC=C(C=C2)Cl)NCC3CC3

InChI

InChI=1S/C17H21ClN2S/c1-17(2,3)20-15(13-6-8-14(18)9-7-13)11-21-16(20)19-10-12-4-5-12/h6-9,11-12H,4-5,10H2,1-3H3/p+1