[(1S)-2-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CSC1=NC=CN1C2=CC(=CC=C2)OC)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CSC1=NC=CN1C2=CC(=CC=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-25(2)20(17-8-5-4-6-9-17)15-24-21(27)16-29-22-23-12-13-26(22)18-10-7-11-19(14-18)28-3/h4-14,20H,15-16H2,1-3H3,(H,24,27)/p+1/t20-/m1/s1