2-[3-[2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[3-[2-(2-furylmethylamino)-4-methyl-thiazol-5-yl]pyrazol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[3-[2-(2-furanylmethylamino)-4-methyl-5-thiazolyl]-1-pyrazolyl]ethyl-dimethylammonium IUPAC Name: 2-[3-[2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[3-[2-(2-furfurylamino)-4-methyl-thiazol-5-yl]pyrazol-1-yl]ethyl-dimethyl-ammonium Formula: C16H22N5OS+ MolecularWeight: 332.44378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCC2=CC=CO2)C3=NN(C=C3)CC[NH+](C)C

Isomeric SMILES

CC1=C(SC(=N1)NCC2=CC=CO2)C3=NN(C=C3)CC[NH+](C)C

InChI

InChI=1S/C16H21N5OS/c1-12-15(14-6-7-21(19-14)9-8-20(2)3)23-16(18-12)17-11-13-5-4-10-22-13/h4-7,10H,8-9,11H2,1-3H3,(H,17,18)/p+1