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

Systemtic Name: [1-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-4-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [1-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-[(3-benzyl-2-esyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]-phenyl-methanone Formula: C25H30N3O3S+ MolecularWeight: 452.589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S/c1-2-32(30,31)25-26-17-23(28(25)18-20-9-5-3-6-10-20)19-27-15-13-22(14-16-27)24(29)21-11-7-4-8-12-21/h3-12,17,22H,2,13-16,18-19H2,1H3/p+1