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

Systemtic Name: 3-[(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol Openeye Name: 3-[(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol CAS Name: 3-[(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)-4-imidazolyl]methyl]-2-piperidin-1-iumyl]-1-propanol IUPAC Name: 3-[(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol Traditional Name: 3-[(2S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol Formula: C22H40N3O4S+ MolecularWeight: 442.6357

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=CN=C1S(=O)(=O)C2CCCCCC2)C[NH+]3CCCCC3CCCO

Isomeric SMILES

COCCN1C(=CN=C1S(=O)(=O)C2CCCCCC2)C[NH+]3CCCC[C@H]3CCCO

InChI

InChI=1S/C22H39N3O4S/c1-29-16-14-25-20(18-24-13-7-6-9-19(24)10-8-15-26)17-23-22(25)30(27,28)21-11-4-2-3-5-12-21/h17,19,21,26H,2-16,18H2,1H3/p+1/t19-/m0/s1