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

Systemtic Name: [3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[2-isopentylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-methyl-ammonium CAS Name: [3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-4-imidazolyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-methylazanium Traditional Name: benzyl-[[2-isoamylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-methyl-ammonium Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C20H31N3O3S/c1-17(2)10-13-27(24,25)20-21-14-19(23(20)11-12-26-4)16-22(3)15-18-8-6-5-7-9-18/h5-9,14,17H,10-13,15-16H2,1-4H3/p+1