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

Systemtic Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium CAS Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-1-ium Traditional Name: 4-benzyl-1-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidin-1-ium Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O3S/c1-27-14-6-11-24-20(16-22-21(24)28(2,25)26)17-23-12-9-19(10-13-23)15-18-7-4-3-5-8-18/h3-5,7-8,16,19H,6,9-15,17H2,1-2H3/p+1