1-methyl-3-(morpholin-4-ium-4-ylmethyl)benzimidazole-2-thione

Systemtic Name: 1-methyl-3-(morpholin-4-ium-4-ylmethyl)benzimidazole-2-thione Openeye Name: 1-methyl-3-(morpholin-4-ium-4-ylmethyl)benzimidazole-2-thione CAS Name: 1-methyl-3-(4-morpholin-4-iumylmethyl)-2-benzimidazolethione IUPAC Name: 1-methyl-3-(morpholin-4-ium-4-ylmethyl)benzimidazole-2-thione Traditional Name: 1-methyl-3-(morpholin-4-ium-4-ylmethyl)benzimidazole-2-thione Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCOCC3

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCOCC3

InChI

InChI=1S/C13H17N3OS/c1-14-11-4-2-3-5-12(11)16(13(14)18)10-15-6-8-17-9-7-15/h2-5H,6-10H2,1H3/p+1