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

Systemtic Name: 4-[[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-ethyl-aniline Openeye Name: 4-[[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-ethyl-aniline CAS Name: 4-[[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-ethylaniline IUPAC Name: 4-[[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-ethylaniline Traditional Name: diethyl-[2-[2-[[4-(ethylamino)phenyl]thio]-3H-benzimidazol-1-ium-1-yl]ethyl]amine Formula: C21H29N4S+ MolecularWeight: 369.54676

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3N2)CCN(CC)CC

Isomeric SMILES

CCNC1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3N2)CCN(CC)CC

InChI

InChI=1S/C21H28N4S/c1-4-22-17-11-13-18(14-12-17)26-21-23-19-9-7-8-10-20(19)25(21)16-15-24(5-2)6-3/h7-14,22H,4-6,15-16H2,1-3H3/p+1