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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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