(2S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-2-(methoxymethyl)piperidin-1-ium

Systemtic Name: (2S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-2-(methoxymethyl)piperidin-1-ium Openeye Name: (2S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-2-(methoxymethyl)piperidin-1-ium CAS Name: (2S)-1-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-2-(methoxymethyl)piperidin-1-ium IUPAC Name: (2S)-1-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]-2-(methoxymethyl)piperidin-1-ium Traditional Name: (2S)-1-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]-2-(methoxymethyl)piperidin-1-ium Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCCC3COC

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCC[C@H]3COC

InChI

InChI=1S/C21H31N3O3S/c1-3-28(25,26)21-22-15-20(16-23-13-8-7-11-19(23)17-27-2)24(21)14-12-18-9-5-4-6-10-18/h4-6,9-10,15,19H,3,7-8,11-14,16-17H2,1-2H3/p+1/t19-/m0/s1