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

Systemtic Name: N-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ium-1-yl-ethanamine Openeye Name: N-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-N-methyl-2-piperidin-1-ium-1-yl-ethanamine CAS Name: N-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-N-methyl-2-(1-piperidin-1-iumyl)ethanamine IUPAC Name: N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-2-piperidin-1-ium-1-ylethanamine Traditional Name: (3-benzyl-2-esyl-imidazol-4-yl)methyl-methyl-(2-piperidin-1-ium-1-ylethyl)amine Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN(C)CC[NH+]3CCCCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN(C)CC[NH+]3CCCCC3

InChI

InChI=1S/C21H32N4O2S/c1-3-28(26,27)21-22-16-20(25(21)17-19-10-6-4-7-11-19)18-23(2)14-15-24-12-8-5-9-13-24/h4,6-7,10-11,16H,3,5,8-9,12-15,17-18H2,1-2H3/p+1