2-[3-[2-[(2,6-dimethoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[2-[(2,6-dimethoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[3-[2-[(2,6-dimethoxyphenyl)methylamino]-4-methyl-thiazol-5-yl]pyrazol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[3-[2-[(2,6-dimethoxyphenyl)methylamino]-4-methyl-5-thiazolyl]-1-pyrazolyl]ethyl-dimethylammonium IUPAC Name: 2-[3-[2-[(2,6-dimethoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[3-[2-[(2,6-dimethoxybenzyl)amino]-4-methyl-thiazol-5-yl]pyrazol-1-yl]ethyl-dimethyl-ammonium Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCC2=C(C=CC=C2OC)OC)C3=NN(C=C3)CC[NH+](C)C

Isomeric SMILES

CC1=C(SC(=N1)NCC2=C(C=CC=C2OC)OC)C3=NN(C=C3)CC[NH+](C)C

InChI

InChI=1S/C20H27N5O2S/c1-14-19(16-9-10-25(23-16)12-11-24(2)3)28-20(22-14)21-13-15-17(26-4)7-6-8-18(15)27-5/h6-10H,11-13H2,1-5H3,(H,21,22)/p+1