4-[3-(1H-benzimidazol-2-yl)propyl]-1,4-oxazepan-4-ium

Systemtic Name: 4-[3-(1H-benzimidazol-2-yl)propyl]-1,4-oxazepan-4-ium Openeye Name: 4-[3-(1H-benzimidazol-2-yl)propyl]-1,4-oxazepan-4-ium CAS Name: 4-[3-(1H-benzimidazol-2-yl)propyl]-1,4-oxazepan-4-ium IUPAC Name: 4-[3-(1H-benzimidazol-2-yl)propyl]-1,4-oxazepan-4-ium Traditional Name: 4-[3-(1H-benzimidazol-2-yl)propyl]-1,4-oxazepan-4-ium Formula: C15H22N3O+ MolecularWeight: 260.35468

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCOC1)CCCC2=NC3=CC=CC=C3N2

Isomeric SMILES

C1C[NH+](CCOC1)CCCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C15H21N3O/c1-2-6-14-13(5-1)16-15(17-14)7-3-8-18-9-4-11-19-12-10-18/h1-2,5-6H,3-4,7-12H2,(H,16,17)/p+1