3-[(2S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S)-1-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S)-1-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S)-1-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]pyridine Formula: C24H31N4O2S+ MolecularWeight: 439.59354

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCCC3C4=CN=CC=C4

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCC[C@H]3C4=CN=CC=C4

InChI

InChI=1S/C24H30N4O2S/c1-2-31(29,30)24-26-18-22(28(24)16-13-20-9-4-3-5-10-20)19-27-15-7-6-12-23(27)21-11-8-14-25-17-21/h3-5,8-11,14,17-18,23H,2,6-7,12-13,15-16,19H2,1H3/p+1/t23-/m0/s1