ethyl-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: ethyl-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-(2-pyrazol-1-ylethyl)azanium Openeye Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)ammonium CAS Name: ethyl-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)azanium Traditional Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)ammonium Formula: C21H30N5O3S+ MolecularWeight: 432.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCN1C=CC=N1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

Isomeric SMILES

CC[NH+](CCN1C=CC=N1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

InChI

InChI=1S/C21H29N5O3S/c1-3-24(12-13-25-11-7-10-23-25)18-20-16-22-21(30(27,28)15-14-29-2)26(20)17-19-8-5-4-6-9-19/h4-11,16H,3,12-15,17-18H2,1-2H3/p+1