2-(azepan-1-ium-1-ylmethyl)-6-chloranyl-1H-benzimidazole

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-6-chloranyl-1H-benzimidazole Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-6-chloro-1H-benzimidazole CAS Name: 2-(1-azepan-1-iumylmethyl)-6-chloro-1H-benzimidazole IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-6-chloro-1H-benzimidazole Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-6-chloro-1H-benzimidazole Formula: C14H19ClN3+ MolecularWeight: 264.77376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C14H18ClN3/c15-11-5-6-12-13(9-11)17-14(16-12)10-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H,16,17)/p+1