N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[1-methyl-2-(1-pyrrolidin-1-iumylmethyl)-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-3-nitro-benzamide Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N=C1C[NH+]4CCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N=C1C[NH+]4CCCC4

InChI

InChI=1S/C20H21N5O3/c1-23-18-8-7-15(12-17(18)22-19(23)13-24-9-2-3-10-24)21-20(26)14-5-4-6-16(11-14)25(27)28/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,26)/p+1