3-(2-piperidin-1-ium-1-ylethyl)-N-(pyridin-4-ylmethyl)-1H-benzimidazol-3-ium-2-amine dichloride

Systemtic Name: 3-(2-piperidin-1-ium-1-ylethyl)-N-(pyridin-4-ylmethyl)-1H-benzimidazol-3-ium-2-amine dichloride Openeye Name: 3-(2-piperidin-1-ium-1-ylethyl)-N-(4-pyridylmethyl)-1H-benzimidazol-3-ium-2-amine dichloride CAS Name: 3-[2-(1-piperidin-1-iumyl)ethyl]-N-(pyridin-4-ylmethyl)-1H-benzimidazol-3-ium-2-amine dichloride IUPAC Name: 3-(2-piperidin-1-ium-1-ylethyl)-N-(pyridin-4-ylmethyl)-1H-benzimidazol-3-ium-2-amine dichloride Traditional Name: [3-(2-piperidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium-2-yl]-(4-pyridylmethyl)amine dichloride Formula: C20H27Cl2N5 MolecularWeight: 408.36788

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC[N+]2=C(NC3=CC=CC=C32)NCC4=CC=NC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC[N+]2=C(NC3=CC=CC=C32)NCC4=CC=NC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C20H25N5.2ClH/c1-4-12-24(13-5-1)14-15-25-19-7-3-2-6-18(19)23-20(25)22-16-17-8-10-21-11-9-17;;/h2-3,6-11H,1,4-5,12-16H2,(H,22,23);2*1H