(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(2-phenoxyethyl)azanium

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(2-phenoxyethyl)azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(2-phenoxyethyl)ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-methyl-(2-phenoxyethyl)ammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-methyl-(2-phenoxyethyl)azanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(2-phenoxyethyl)ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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)CCOC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c1-3-30(27,28)23-24-18-21(26(23)15-14-20-10-6-4-7-11-20)19-25(2)16-17-29-22-12-8-5-9-13-22/h4-13,18H,3,14-17,19H2,1-2H3/p+1