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

Systemtic Name: 1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-4-(methoxymethyl)piperidin-1-ium Openeye Name: 1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-4-(methoxymethyl)piperidin-1-ium CAS Name: 1-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-4-(methoxymethyl)piperidin-1-ium IUPAC Name: 1-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]-4-(methoxymethyl)piperidin-1-ium Traditional Name: 1-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]-4-(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+]3CCC(CC3)COC

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCC(CC3)COC

InChI

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