2-(azepan-1-ium-1-ylidene)-5-chloranyl-1,3-dihydrobenzimidazole

Systemtic Name: 2-(azepan-1-ium-1-ylidene)-5-chloranyl-1,3-dihydrobenzimidazole Openeye Name: 2-(azepan-1-ium-1-ylidene)-5-chloro-1,3-dihydrobenzimidazole CAS Name: 2-(1-azepan-1-iumylidene)-5-chloro-1,3-dihydrobenzimidazole IUPAC Name: 2-(azepan-1-ium-1-ylidene)-5-chloro-1,3-dihydrobenzimidazole Traditional Name: 2-(azepan-1-ium-1-ylidene)-5-chloro-1,3-dihydrobenzimidazole Formula: C13H17ClN3+ MolecularWeight: 250.74718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+](=C2NC3=C(N2)C=C(C=C3)Cl)CC1

Isomeric SMILES

C1CCC[N+](=C2NC3=C(N2)C=C(C=C3)Cl)CC1

InChI

InChI=1S/C13H16ClN3/c14-10-5-6-11-12(9-10)16-13(15-11)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8H2,(H,15,16)/p+1