[(1R)-1-[5-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-[5-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1R)-1-[4-benzyl-5-[(5-methoxycarbonyl-2-furyl)methylsulfanyl]-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1R)-1-[5-[(5-methoxycarbonyl-2-furanyl)methylthio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1R)-1-[4-benzyl-5-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1R)-1-[4-benzyl-5-[(5-carbomethoxy-2-furyl)methylthio]-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=C(O3)C(=O)OC)[NH+](C)C

Isomeric SMILES

CC[C@H](C1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=C(O3)C(=O)OC)[NH+](C)C

InChI

InChI=1S/C21H26N4O3S/c1-5-17(24(2)3)19-22-23-21(25(19)13-15-9-7-6-8-10-15)29-14-16-11-12-18(28-16)20(26)27-4/h6-12,17H,5,13-14H2,1-4H3/p+1/t17-/m1/s1