(3S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)-4-imidazolyl]methyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methyl-piperidin-1-ium Formula: C20H36N3O3S+ MolecularWeight: 398.58314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CN=C(N2CCOC)S(=O)(=O)C3CCCCCC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CN=C(N2CCOC)S(=O)(=O)C3CCCCCC3

InChI

InChI=1S/C20H35N3O3S/c1-17-8-7-11-22(15-17)16-18-14-21-20(23(18)12-13-26-2)27(24,25)19-9-5-3-4-6-10-19/h14,17,19H,3-13,15-16H2,1-2H3/p+1/t17-/m0/s1