4-[[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N,N-diethyl-aniline

Systemtic Name: 4-[[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N,N-diethyl-aniline Openeye Name: 4-[[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N,N-diethyl-aniline CAS Name: 4-[[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]thio]-N,N-diethylaniline IUPAC Name: 4-[[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N,N-diethylaniline Traditional Name: [4-[[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]thio]phenyl]-diethyl-amine Formula: C23H33N4S+ MolecularWeight: 397.59992

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1=C(NC2=CC=CC=C21)SC3=CC=C(C=C3)N(CC)CC

Isomeric SMILES

CCN(CC)CC[N+]1=C(NC2=CC=CC=C21)SC3=CC=C(C=C3)N(CC)CC

InChI

InChI=1S/C23H32N4S/c1-5-25(6-2)17-18-27-22-12-10-9-11-21(22)24-23(27)28-20-15-13-19(14-16-20)26(7-3)8-4/h9-16H,5-8,17-18H2,1-4H3/p+1