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

Systemtic Name: 1-[(3R)-1-ethylpiperidin-1-ium-3-yl]-N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-methanamine Openeye Name: 1-[(3R)-1-ethylpiperidin-1-ium-3-yl]-N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-methanamine CAS Name: 1-[(3R)-1-ethyl-3-piperidin-1-iumyl]-N-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-N-methylmethanamine IUPAC Name: 1-[(3R)-1-ethylpiperidin-1-ium-3-yl]-N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methylmethanamine Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-[[(3R)-1-ethylpiperidin-1-ium-3-yl]methyl]-methyl-amine Formula: C24H39N4O2S+ MolecularWeight: 447.65706

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)CN(C)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)CC

Isomeric SMILES

CC[NH+]1CCC[C@@H](C1)CN(C)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)CC

InChI

InChI=1S/C24H38N4O2S/c1-4-27-15-9-14-22(19-27)18-26(3)20-23-17-25-24(31(29,30)5-2)28(23)16-10-13-21-11-7-6-8-12-21/h6-8,11-12,17,22H,4-5,9-10,13-16,18-20H2,1-3H3/p+1/t22-/m1/s1