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

Systemtic Name: 2-[1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole Openeye Name: 2-[1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole CAS Name: 2-[1-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-piperidin-1-iumyl]-1,3-benzoxazole IUPAC Name: 2-[1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole Traditional Name: 2-[1-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole Formula: C21H29N4O4S+ MolecularWeight: 433.54436

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H28N4O4S/c1-28-13-5-10-25-17(14-22-21(25)30(2,26)27)15-24-11-8-16(9-12-24)20-23-18-6-3-4-7-19(18)29-20/h3-4,6-7,14,16H,5,8-13,15H2,1-2H3/p+1