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

Systemtic Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-(3-methylphenoxy)piperidin-1-ium Openeye Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-(3-methylphenoxy)piperidin-1-ium CAS Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-(3-methylphenoxy)piperidin-1-ium IUPAC Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-4-(3-methylphenoxy)piperidin-1-ium Traditional Name: 1-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-4-(3-methylphenoxy)piperidin-1-ium Formula: C21H32N3O4S+ MolecularWeight: 422.56148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2CC[NH+](CC2)CC3=CN=C(N3CCCOC)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2CC[NH+](CC2)CC3=CN=C(N3CCCOC)S(=O)(=O)C

InChI

InChI=1S/C21H31N3O4S/c1-17-6-4-7-20(14-17)28-19-8-11-23(12-9-19)16-18-15-22-21(29(3,25)26)24(18)10-5-13-27-2/h4,6-7,14-15,19H,5,8-13,16H2,1-3H3/p+1