2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)-1,3-benzoxazole

Systemtic Name: 2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)-1,3-benzoxazole Openeye Name: 2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)-1,3-benzoxazole CAS Name: 2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)-1,3-benzoxazole IUPAC Name: 2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)-1,3-benzoxazole Traditional Name: 2-(4,4-dimethyl-1,4-diazepan-4-ium-1-yl)-1,3-benzoxazole Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCN(CC1)C2=NC3=CC=CC=C3O2)C

Isomeric SMILES

C[N+]1(CCCN(CC1)C2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C14H20N3O/c1-17(2)10-5-8-16(9-11-17)14-15-12-6-3-4-7-13(12)18-14/h3-4,6-7H,5,8-11H2,1-2H3/q+1