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

Systemtic Name: 1-(2-methoxyphenyl)-5-nitro-3-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole-2-thione Openeye Name: 1-(2-methoxyphenyl)-5-nitro-3-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole-2-thione CAS Name: 1-(2-methoxyphenyl)-5-nitro-3-(1-pyrrolidin-1-iumylmethyl)-2-benzimidazolethione IUPAC Name: 1-(2-methoxyphenyl)-5-nitro-3-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole-2-thione Traditional Name: 1-(2-methoxyphenyl)-5-nitro-3-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole-2-thione Formula: C19H21N4O3S+ MolecularWeight: 385.46004

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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+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N(C2=S)C[NH+]4CCCC4

InChI

InChI=1S/C19H20N4O3S/c1-26-18-7-3-2-6-16(18)22-15-9-8-14(23(24)25)12-17(15)21(19(22)27)13-20-10-4-5-11-20/h2-3,6-9,12H,4-5,10-11,13H2,1H3/p+1