[3-[(dipentylazaniumyl)methyl]-2-sulfanylidene-benzimidazol-1-yl]methyl-dipentyl-azanium

Systemtic Name: [3-[(dipentylazaniumyl)methyl]-2-sulfanylidene-benzimidazol-1-yl]methyl-dipentyl-azanium Openeye Name: [3-[(dipentylammonio)methyl]-2-thioxo-benzimidazol-1-yl]methyl-dipentyl-ammonium CAS Name: [3-[(dipentylammonio)methyl]-2-sulfanylidene-1-benzimidazolyl]methyl-dipentylammonium IUPAC Name: [3-[(dipentylazaniumyl)methyl]-2-sulfanylidenebenzimidazol-1-yl]methyl-dipentylazanium Traditional Name: diamyl-[[3-[(diamylammonio)methyl]-2-thioxo-benzimidazol-1-yl]methyl]ammonium Formula: C29H54N4S+2 MolecularWeight: 490.83086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+](CCCCC)CN1C2=CC=CC=C2N(C1=S)C[NH+](CCCCC)CCCCC

Isomeric SMILES

CCCCC[NH+](CCCCC)CN1C2=CC=CC=C2N(C1=S)C[NH+](CCCCC)CCCCC

InChI

InChI=1S/C29H52N4S/c1-5-9-15-21-30(22-16-10-6-2)25-32-27-19-13-14-20-28(27)33(29(32)34)26-31(23-17-11-7-3)24-18-12-8-4/h13-14,19-20H,5-12,15-18,21-26H2,1-4H3/p+2