2-[2-(4-butan-2-ylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]-N,N-diethyl-ethanamine

Systemtic Name: 2-[2-(4-butan-2-ylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]-N,N-diethyl-ethanamine Openeye Name: N,N-diethyl-2-[2-(4-sec-butylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethanamine CAS Name: 2-[2-[(4-butan-2-ylphenyl)thio]-3H-benzimidazol-1-ium-1-yl]-N,N-diethylethanamine IUPAC Name: 2-[2-(4-butan-2-ylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]-N,N-diethylethanamine Traditional Name: diethyl-[2-[2-[(4-sec-butylphenyl)thio]-3H-benzimidazol-1-ium-1-yl]ethyl]amine Formula: C23H32N3S+ MolecularWeight: 382.58528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3S/c1-5-18(4)19-12-14-20(15-13-19)27-23-24-21-10-8-9-11-22(21)26(23)17-16-25(6-2)7-3/h8-15,18H,5-7,16-17H2,1-4H3/p+1