1-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-4-methoxy-piperidin-1-ium

Systemtic Name: 1-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-4-methoxy-piperidin-1-ium Openeye Name: 1-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-methoxy-piperidin-1-ium CAS Name: 1-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-4-methoxypiperidin-1-ium IUPAC Name: 1-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-4-methoxypiperidin-1-ium Traditional Name: 1-[(3-benzyl-2-esyl-imidazol-4-yl)methyl]-4-methoxy-piperidin-1-ium Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCC(CC3)OC

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCC(CC3)OC

InChI

InChI=1S/C19H27N3O3S/c1-3-26(23,24)19-20-13-17(15-21-11-9-18(25-2)10-12-21)22(19)14-16-7-5-4-6-8-16/h4-8,13,18H,3,9-12,14-15H2,1-2H3/p+1