1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]azepan-1-ium

Systemtic Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]azepan-1-ium Openeye Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]azepan-1-ium CAS Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]azepan-1-ium IUPAC Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]azepan-1-ium Traditional Name: 1-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]azepan-1-ium Formula: C15H28N3O3S+ MolecularWeight: 330.46612

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCCCCC2

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCCCCC2

InChI

InChI=1S/C15H27N3O3S/c1-21-11-7-10-18-14(12-16-15(18)22(2,19)20)13-17-8-5-3-4-6-9-17/h12H,3-11,13H2,1-2H3/p+1