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

Systemtic Name: 3-[(3R)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]propan-1-ol Openeye Name: 3-[(3R)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]propan-1-ol CAS Name: 3-[(3R)-1-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-3-piperidin-1-iumyl]-1-propanol IUPAC Name: 3-[(3R)-1-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]piperidin-1-ium-3-yl]propan-1-ol Traditional Name: 3-[(3R)-1-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]propan-1-ol Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCC(C3)CCCO

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)CCCO

InChI

InChI=1S/C22H33N3O3S/c1-2-29(27,28)22-23-16-21(25(22)14-12-19-8-4-3-5-9-19)18-24-13-6-10-20(17-24)11-7-15-26/h3-5,8-9,16,20,26H,2,6-7,10-15,17-18H2,1H3/p+1/t20-/m1/s1