(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl-prop-2-enyl-prop-2-ynyl-azanium

Systemtic Name: (3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl-prop-2-enyl-prop-2-ynyl-azanium Openeye Name: allyl-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-prop-2-ynyl-ammonium CAS Name: (3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl-prop-2-enyl-prop-2-ynylammonium IUPAC Name: (3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl-prop-2-enyl-prop-2-ynylazanium Traditional Name: allyl-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-propargyl-ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-5-13-23(14-6-2)17-20-16-22-21(27(25,26)18(3)4)24(20)15-12-19-10-8-7-9-11-19/h1,6-11,16,18H,2,12-15,17H2,3-4H3/p+1