(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]azanium

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(2-methylthiazol-4-yl)methyl]ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-methyl-[(2-methyl-4-thiazolyl)methyl]ammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]azanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-methyl-[(2-methylthiazol-4-yl)methyl]ammonium Formula: C20H27N4O2S2+ MolecularWeight: 419.58398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CSC(=N3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CSC(=N3)C

InChI

InChI=1S/C20H26N4O2S2/c1-4-28(25,26)20-21-12-19(14-23(3)13-18-15-27-16(2)22-18)24(20)11-10-17-8-6-5-7-9-17/h5-9,12,15H,4,10-11,13-14H2,1-3H3/p+1