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

Systemtic Name: furan-2-ylmethyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-prop-2-ynyl-azanium Openeye Name: 2-furylmethyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-prop-2-ynyl-ammonium CAS Name: 2-furanylmethyl-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-prop-2-ynylammonium IUPAC Name: furan-2-ylmethyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-prop-2-ynylazanium Traditional Name: 2-furfuryl-[[2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-propargyl-ammonium Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](CC#C)CC3=CC=CO3

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](CC#C)CC3=CC=CO3

InChI

InChI=1S/C22H25N3O3S/c1-3-13-24(18-21-12-8-15-28-21)17-20-16-23-22(29(2,26)27)25(20)14-7-11-19-9-5-4-6-10-19/h1,4-6,8-10,12,15-16H,7,11,13-14,17-18H2,2H3/p+1