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

Systemtic Name: 3-[(3S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]propan-1-ol Openeye Name: 3-[(3S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]propan-1-ol CAS Name: 3-[(3S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)-4-imidazolyl]methyl]-3-piperidin-1-iumyl]-1-propanol IUPAC Name: 3-[(3S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-3-yl]propan-1-ol Traditional Name: 3-[(3S)-1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-1-ium-3-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+]3CCCC(C3)CCCO

Isomeric SMILES

COCCN1C(=CN=C1S(=O)(=O)C2CCCCCC2)C[NH+]3CCC[C@H](C3)CCCO

InChI

InChI=1S/C22H39N3O4S/c1-29-15-13-25-20(18-24-12-6-8-19(17-24)9-7-14-26)16-23-22(25)30(27,28)21-10-4-2-3-5-11-21/h16,19,21,26H,2-15,17-18H2,1H3/p+1/t19-/m0/s1