1-(2-methoxyphenyl)-3-(morpholin-4-ium-4-ylmethyl)-5-nitro-benzimidazole-2-thione

Systemtic Name: 1-(2-methoxyphenyl)-3-(morpholin-4-ium-4-ylmethyl)-5-nitro-benzimidazole-2-thione Openeye Name: 1-(2-methoxyphenyl)-3-(morpholin-4-ium-4-ylmethyl)-5-nitro-benzimidazole-2-thione CAS Name: 1-(2-methoxyphenyl)-3-(4-morpholin-4-iumylmethyl)-5-nitro-2-benzimidazolethione IUPAC Name: 1-(2-methoxyphenyl)-3-(morpholin-4-ium-4-ylmethyl)-5-nitrobenzimidazole-2-thione Traditional Name: 1-(2-methoxyphenyl)-3-(morpholin-4-ium-4-ylmethyl)-5-nitro-benzimidazole-2-thione Formula: C19H21N4O4S+ MolecularWeight: 401.45944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N(C2=S)C[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N(C2=S)C[NH+]4CCOCC4

InChI

InChI=1S/C19H20N4O4S/c1-26-18-5-3-2-4-16(18)22-15-7-6-14(23(24)25)12-17(15)21(19(22)28)13-20-8-10-27-11-9-20/h2-7,12H,8-11,13H2,1H3/p+1