1-[(3R)-1-ethylpiperidin-1-ium-3-yl]-N-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-N-methyl-methanamine

Systemtic Name: 1-[(3R)-1-ethylpiperidin-1-ium-3-yl]-N-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-N-methyl-methanamine Openeye Name: N-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-1-[(3R)-1-ethylpiperidin-1-ium-3-yl]-N-methyl-methanamine CAS Name: 1-[(3R)-1-ethyl-3-piperidin-1-iumyl]-N-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-N-methylmethanamine IUPAC Name: N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-1-[(3R)-1-ethylpiperidin-1-ium-3-yl]-N-methylmethanamine Traditional Name: (3-benzyl-2-esyl-imidazol-4-yl)methyl-[[(3R)-1-ethylpiperidin-1-ium-3-yl]methyl]-methyl-amine Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)CN(C)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CC

Isomeric SMILES

CC[NH+]1CCC[C@@H](C1)CN(C)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CC

InChI

InChI=1S/C22H34N4O2S/c1-4-25-13-9-12-20(16-25)15-24(3)18-21-14-23-22(29(27,28)5-2)26(21)17-19-10-7-6-8-11-19/h6-8,10-11,14,20H,4-5,9,12-13,15-18H2,1-3H3/p+1/t20-/m1/s1