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

Systemtic Name: (1S)-1-[1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]propan-1-ol Openeye Name: (1S)-1-[1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]propan-1-ol CAS Name: (1S)-1-[1-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-4-piperidin-1-iumyl]-1-propanol IUPAC Name: (1S)-1-[1-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-4-yl]propan-1-ol Traditional Name: (1S)-1-[1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]propan-1-ol Formula: C23H36N3O3S+ MolecularWeight: 434.61524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CC[NH+](CC1)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C)O

Isomeric SMILES

CC[C@@H](C1CC[NH+](CC1)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C)O

InChI

InChI=1S/C23H35N3O3S/c1-4-22(27)20-11-13-25(14-12-20)17-21-16-24-23(30(28,29)18(2)3)26(21)15-10-19-8-6-5-7-9-19/h5-9,16,18,20,22,27H,4,10-15,17H2,1-3H3/p+1/t22-/m0/s1