N-ethyl-N-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine

Systemtic Name: N-ethyl-N-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: N-[(3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl]-N-ethyl-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: N-ethyl-N-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-ethyl-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: (3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl-ethyl-(2-pyrrolidin-1-ium-1-ylethyl)amine Formula: C23H37N4O2S+ MolecularWeight: 433.63048

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[NH+]1CCCC1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CC(C)C

Isomeric SMILES

CCN(CC[NH+]1CCCC1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CC(C)C

InChI

InChI=1S/C23H36N4O2S/c1-4-25(14-15-26-12-8-9-13-26)18-22-16-24-23(30(28,29)19-20(2)3)27(22)17-21-10-6-5-7-11-21/h5-7,10-11,16,20H,4,8-9,12-15,17-19H2,1-3H3/p+1