(4-bromophenyl)methyl-methyl-[[5-(pyrrolidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[[5-(pyrrolidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[[5-(pyrrolidin-1-ium-1-ylmethyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[[5-(1-pyrrolidin-1-iumylmethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[[5-(pyrrolidin-1-ium-1-ylmethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium Traditional Name: (4-bromobenzyl)-methyl-[[5-(pyrrolidin-1-ium-1-ylmethyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium Formula: C16H23BrN4OS+2 MolecularWeight: 399.34902

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CN2C(=S)OC(=N2)C[NH+]3CCCC3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CN2C(=S)OC(=N2)C[NH+]3CCCC3

InChI

InChI=1S/C16H21BrN4OS/c1-19(10-13-4-6-14(17)7-5-13)12-21-16(23)22-15(18-21)11-20-8-2-3-9-20/h4-7H,2-3,8-12H2,1H3/p+2