[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl-prop-2-enyl-prop-2-ynyl-azanium

Systemtic Name: [2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl-prop-2-enyl-prop-2-ynyl-azanium Openeye Name: allyl-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-prop-2-ynyl-ammonium CAS Name: [2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl-prop-2-enyl-prop-2-ynylammonium IUPAC Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-prop-2-enyl-prop-2-ynylazanium Traditional Name: allyl-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-propargyl-ammonium Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-4-11-22(12-5-2)17-19-15-21-20(27(24,25)14-13-26-3)23(19)16-18-9-7-6-8-10-18/h1,5-10,15H,2,11-14,16-17H2,3H3/p+1