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

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

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3S/c1-5-25(6-2)15-16-26-22-10-8-7-9-21(22)24-23(26)27-20-13-11-19(12-14-20)17-18(3)4/h7-14,18H,5-6,15-17H2,1-4H3/p+1