2-(azepan-1-ium-1-ylmethyl)-1H-benzimidazole

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-1H-benzimidazole Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-1H-benzimidazole CAS Name: 2-(1-azepan-1-iumylmethyl)-1H-benzimidazole IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-1H-benzimidazole Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-1H-benzimidazole Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC3=CC=CC=C3N2

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C14H19N3/c1-2-6-10-17(9-5-1)11-14-15-12-7-3-4-8-13(12)16-14/h3-4,7-8H,1-2,5-6,9-11H2,(H,15,16)/p+1