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

Systemtic Name: 4-[1-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]piperidin-1-ium-4-yl]pyridine Openeye Name: 4-[1-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]pyridine CAS Name: 4-[1-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-4-piperidin-1-iumyl]pyridine IUPAC Name: 4-[1-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-4-yl]pyridine Traditional Name: 4-[1-[(3-benzyl-2-esyl-imidazol-4-yl)methyl]piperidin-1-ium-4-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+]3CCC(CC3)C4=CC=NC=C4

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCC(CC3)C4=CC=NC=C4

InChI

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