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

Systemtic Name: 1-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]azocan-1-ium Openeye Name: 1-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]azocan-1-ium CAS Name: 1-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]azocan-1-ium IUPAC Name: 1-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]azocan-1-ium Traditional Name: 1-[(3-benzyl-2-esyl-imidazol-4-yl)methyl]azocan-1-ium Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCCCCCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCCCCCC3

InChI

InChI=1S/C20H29N3O2S/c1-2-26(24,25)20-21-15-19(17-22-13-9-4-3-5-10-14-22)23(20)16-18-11-7-6-8-12-18/h6-8,11-12,15H,2-5,9-10,13-14,16-17H2,1H3/p+1