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

Systemtic Name: 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-4-yl]pyridine Openeye Name: 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-4-yl]pyridine CAS Name: 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-piperidin-1-iumyl]pyridine IUPAC Name: 4-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-1-ium-4-yl]pyridine Traditional Name: 4-[1-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium-4-yl]pyridine Formula: C19H29N4O3S+ MolecularWeight: 393.52356

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(CC2)C3=CC=NC=C3

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(CC2)C3=CC=NC=C3

InChI

InChI=1S/C19H28N4O3S/c1-26-13-3-10-23-18(14-21-19(23)27(2,24)25)15-22-11-6-17(7-12-22)16-4-8-20-9-5-16/h4-5,8-9,14,17H,3,6-7,10-13,15H2,1-2H3/p+1