[3-[4-(2-ethoxy-3,5-dimethyl-phenyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methylazanium

Systemtic Name: [3-[4-(2-ethoxy-3,5-dimethyl-phenyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methylazanium Openeye Name: [3-[4-(2-ethoxy-3,5-dimethyl-phenyl)-5-methyl-thiazol-2-yl]phenyl]methylammonium CAS Name: [3-[4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-2-thiazolyl]phenyl]methylammonium IUPAC Name: [3-[4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methylazanium Traditional Name: [3-[4-(2-ethoxy-3,5-dimethyl-phenyl)-5-methyl-thiazol-2-yl]benzyl]ammonium Formula: C21H25N2OS+ MolecularWeight: 353.501

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C2=C(SC(=N2)C3=CC(=CC=C3)C[NH3+])C)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1C2=C(SC(=N2)C3=CC(=CC=C3)C[NH3+])C)C)C

InChI

InChI=1S/C21H24N2OS/c1-5-24-20-14(3)9-13(2)10-18(20)19-15(4)25-21(23-19)17-8-6-7-16(11-17)12-22/h6-11H,5,12,22H2,1-4H3/p+1