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

Systemtic Name: 3-[(2S)-1-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S)-1-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S)-1-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S)-1-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S)-1-[(3-benzyl-2-esyl-imidazol-4-yl)methyl]piperidin-1-ium-2-yl]pyridine Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCCCC3C4=CN=CC=C4

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCCC[C@H]3C4=CN=CC=C4

InChI

InChI=1S/C23H28N4O2S/c1-2-30(28,29)23-25-16-21(27(23)17-19-9-4-3-5-10-19)18-26-14-7-6-12-22(26)20-11-8-13-24-15-20/h3-5,8-11,13,15-16,22H,2,6-7,12,14,17-18H2,1H3/p+1/t22-/m0/s1