(3R)-N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[1-methyl-2-(1-pyrrolidin-1-iumylmethyl)-5-benzimidazolyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3)N=C1C[NH+]5CCCC5

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)[C@H]3COC4=CC=CC=C4O3)N=C1C[NH+]5CCCC5

InChI

InChI=1S/C22H24N4O3/c1-25-17-9-8-15(12-16(17)24-21(25)13-26-10-4-5-11-26)23-22(27)20-14-28-18-6-2-3-7-19(18)29-20/h2-3,6-9,12,20H,4-5,10-11,13-14H2,1H3,(H,23,27)/p+1/t20-/m1/s1