[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-prop-2-enyl-prop-2-ynyl-azanium

Systemtic Name: [2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-prop-2-enyl-prop-2-ynyl-azanium Openeye Name: allyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-prop-2-ynyl-ammonium CAS Name: [2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl-prop-2-enyl-prop-2-ynylammonium IUPAC Name: [2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-prop-2-enyl-prop-2-ynylazanium Traditional Name: allyl-[[2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-propargyl-ammonium Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](CC=C)CC#C

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](CC=C)CC#C

InChI

InChI=1S/C20H25N3O2S/c1-4-13-22(14-5-2)17-19-16-21-20(26(3,24)25)23(19)15-9-12-18-10-7-6-8-11-18/h1,5-8,10-11,16H,2,9,12-15,17H2,3H3/p+1