3-ethyl-1-phenethyl-1-(propylamino)benzimidazol-1-ium-2-thione

Systemtic Name: 3-ethyl-1-phenethyl-1-(propylamino)benzimidazol-1-ium-2-thione Openeye Name: 3-ethyl-1-phenethyl-1-(propylamino)benzimidazol-1-ium-2-thione CAS Name: 3-ethyl-1-phenethyl-1-(propylamino)-2-benzimidazol-1-iumthione IUPAC Name: 3-ethyl-1-phenethyl-1-(propylamino)benzimidazol-1-ium-2-thione Traditional Name: 3-ethyl-1-phenethyl-1-(propylamino)benzimidazol-1-ium-2-thione Formula: C20H26N3S+ MolecularWeight: 340.50554

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Descriptors Computed from Structure

Canonical SMILES:

CCCN[N+]1(C2=CC=CC=C2N(C1=S)CC)CCC3=CC=CC=C3

Isomeric SMILES

CCCN[N+]1(C2=CC=CC=C2N(C1=S)CC)CCC3=CC=CC=C3

InChI

InChI=1S/C20H26N3S/c1-3-15-21-23(16-14-17-10-6-5-7-11-17)19-13-9-8-12-18(19)22(4-2)20(23)24/h5-13,21H,3-4,14-16H2,1-2H3/q+1