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

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-phenethyl-azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-phenethyl-ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-methyl-phenethylammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-methyl-phenethylazanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-methyl-phenethyl-ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-3-29(27,28)23-24-18-22(26(23)17-15-21-12-8-5-9-13-21)19-25(2)16-14-20-10-6-4-7-11-20/h4-13,18H,3,14-17,19H2,1-2H3/p+1