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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCCC3CCOC

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCC[C@@H]3CCOC

InChI

InChI=1S/C23H35N3O3S/c1-19(2)30(27,28)23-24-17-22(26(23)15-12-20-9-5-4-6-10-20)18-25-14-8-7-11-21(25)13-16-29-3/h4-6,9-10,17,19,21H,7-8,11-16,18H2,1-3H3/p+1/t21-/m1/s1