cyclohexyl-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-prop-2-ynyl-azanium

Systemtic Name: cyclohexyl-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-prop-2-ynyl-azanium Openeye Name: (3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl-cyclohexyl-prop-2-ynyl-ammonium CAS Name: cyclohexyl-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-prop-2-ynylammonium IUPAC Name: (3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl-cyclohexyl-prop-2-ynylazanium Traditional Name: (3-benzyl-2-esyl-imidazol-4-yl)methyl-cyclohexyl-propargyl-ammonium Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](CC#C)C3CCCCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](CC#C)C3CCCCC3

InChI

InChI=1S/C22H29N3O2S/c1-3-15-24(20-13-9-6-10-14-20)18-21-16-23-22(28(26,27)4-2)25(21)17-19-11-7-5-8-12-19/h1,5,7-8,11-12,16,20H,4,6,9-10,13-15,17-18H2,2H3/p+1