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

Systemtic Name: 1-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-(4-methoxyphenyl)benzimidazole-2-thione Openeye Name: 1-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-(4-methoxyphenyl)benzimidazole-2-thione CAS Name: 1-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-3-(4-methoxyphenyl)-2-benzimidazolethione IUPAC Name: 1-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-(4-methoxyphenyl)benzimidazole-2-thione Traditional Name: 1-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-(4-methoxyphenyl)benzimidazole-2-thione Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-15-12-22(13-16(2)26-15)14-23-19-6-4-5-7-20(19)24(21(23)27)17-8-10-18(25-3)11-9-17/h4-11,15-16H,12-14H2,1-3H3/p+1/t15-,16-/m0/s1