1H-indol-2-ylmethyl-methyl-[[5-[[(2R)-oxolan-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]azanium

Systemtic Name: 1H-indol-2-ylmethyl-methyl-[[5-[[(2R)-oxolan-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]azanium Openeye Name: [4-allyl-5-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl-(1H-indol-2-ylmethyl)-methyl-ammonium CAS Name: 1H-indol-2-ylmethyl-methyl-[[5-[[(2R)-2-oxolanyl]methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]ammonium IUPAC Name: 1H-indol-2-ylmethyl-methyl-[[5-[[(2R)-oxolan-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]azanium Traditional Name: [4-allyl-5-[[(2R)-tetrahydrofuran-2-yl]methylthio]-1,2,4-triazol-3-yl]methyl-(1H-indol-2-ylmethyl)-methyl-ammonium Formula: C21H28N5OS+ MolecularWeight: 398.54492

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2N1)CC3=NN=C(N3CC=C)SCC4CCCO4

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2N1)CC3=NN=C(N3CC=C)SC[C@H]4CCCO4

InChI

InChI=1S/C21H27N5OS/c1-3-10-26-20(23-24-21(26)28-15-18-8-6-11-27-18)14-25(2)13-17-12-16-7-4-5-9-19(16)22-17/h3-5,7,9,12,18,22H,1,6,8,10-11,13-15H2,2H3/p+1/t18-/m1/s1