1-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-(3-methylphenyl)benzimidazole-2-thione

Systemtic Name: 1-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-(3-methylphenyl)benzimidazole-2-thione Openeye Name: 1-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-(m-tolyl)benzimidazole-2-thione CAS Name: 1-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-3-(3-methylphenyl)-2-benzimidazolethione IUPAC Name: 1-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-(3-methylphenyl)benzimidazole-2-thione Traditional Name: 1-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-(m-tolyl)benzimidazole-2-thione Formula: C21H26N3OS+ MolecularWeight: 368.51564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CN2C3=CC=CC=C3N(C2=S)C4=CC=CC(=C4)C

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CN2C3=CC=CC=C3N(C2=S)C4=CC=CC(=C4)C

InChI

InChI=1S/C21H25N3OS/c1-15-7-6-8-18(11-15)24-20-10-5-4-9-19(20)23(21(24)26)14-22-12-16(2)25-17(3)13-22/h4-11,16-17H,12-14H2,1-3H3/p+1/t16-,17-/m0/s1