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

Systemtic Name: cyclohexyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-prop-2-ynyl-azanium Openeye Name: cyclohexyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-prop-2-ynyl-ammonium CAS Name: cyclohexyl-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-prop-2-ynylammonium IUPAC Name: cyclohexyl-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]-prop-2-ynylazanium Traditional Name: cyclohexyl-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]-propargyl-ammonium Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](CC#C)C3CCCCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](CC#C)C3CCCCC3

InChI

InChI=1S/C23H31N3O2S/c1-3-16-25(21-13-9-6-10-14-21)19-22-18-24-23(29(27,28)4-2)26(22)17-15-20-11-7-5-8-12-20/h1,5,7-8,11-12,18,21H,4,6,9-10,13-17,19H2,2H3/p+1