2-methoxyethyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-propan-2-yl-azanium

Systemtic Name: 2-methoxyethyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-propan-2-yl-azanium Openeye Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-isopropyl-(2-methoxyethyl)ammonium CAS Name: 2-methoxyethyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]-propan-2-ylammonium IUPAC Name: [2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-(2-methoxyethyl)-propan-2-ylazanium Traditional Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-isopropyl-(2-methoxyethyl)ammonium Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+](CCOC)C(C)C

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+](CCOC)C(C)C

InChI

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