ethyl-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-ethyl-(4-pyridylmethyl)ammonium CAS Name: ethyl-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-ethyl-(4-pyridylmethyl)ammonium Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

InChI

InChI=1S/C22H28N4O3S/c1-3-25(16-20-9-11-23-12-10-20)18-21-15-24-22(30(27,28)14-13-29-2)26(21)17-19-7-5-4-6-8-19/h4-12,15H,3,13-14,16-18H2,1-2H3/p+1