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

Systemtic Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]azocan-1-ium Openeye Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]azocan-1-ium CAS Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]azocan-1-ium IUPAC Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]azocan-1-ium Traditional Name: 1-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]azocan-1-ium Formula: C16H30N3O3S+ MolecularWeight: 344.4927

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCCCCCC2

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCCCCCC2

InChI

InChI=1S/C16H29N3O3S/c1-22-12-8-11-19-15(13-17-16(19)23(2,20)21)14-18-9-6-4-3-5-7-10-18/h13H,3-12,14H2,1-2H3/p+1