ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[[2-isopentylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]ammonium CAS Name: ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-4-imidazolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]azanium Traditional Name: benzyl-ethyl-[[2-isoamylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]ammonium Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=CN=C(N2CCOC)S(=O)(=O)CCC(C)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=CN=C(N2CCOC)S(=O)(=O)CCC(C)C

InChI

InChI=1S/C21H33N3O3S/c1-5-23(16-19-9-7-6-8-10-19)17-20-15-22-21(24(20)12-13-27-4)28(25,26)14-11-18(2)3/h6-10,15,18H,5,11-14,16-17H2,1-4H3/p+1