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

Systemtic Name: 1-[(3R)-1-ethylpyrrolidin-1-ium-3-yl]-N-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-N-methyl-methanamine Openeye Name: 1-[(3R)-1-ethylpyrrolidin-1-ium-3-yl]-N-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-N-methyl-methanamine CAS Name: 1-[(3R)-1-ethyl-3-pyrrolidin-1-iumyl]-N-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-N-methylmethanamine IUPAC Name: 1-[(3R)-1-ethylpyrrolidin-1-ium-3-yl]-N-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]-N-methylmethanamine Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-methyl-amine Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(C1)CN(C)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)CC

Isomeric SMILES

CC[NH+]1CC[C@@H](C1)CN(C)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)CC

InChI

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