2-(1,4-diazepan-4-ium-1-ylmethyl)-1,3-benzoxazole

Systemtic Name: 2-(1,4-diazepan-4-ium-1-ylmethyl)-1,3-benzoxazole Openeye Name: 2-(1,4-diazepan-4-ium-1-ylmethyl)-1,3-benzoxazole CAS Name: 2-(1,4-diazepan-4-ium-1-ylmethyl)-1,3-benzoxazole IUPAC Name: 2-(1,4-diazepan-4-ium-1-ylmethyl)-1,3-benzoxazole Traditional Name: 2-(1,4-diazepan-4-ium-1-ylmethyl)-1,3-benzoxazole Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)CC2=NC3=CC=CC=C3O2

Isomeric SMILES

C1C[NH2+]CCN(C1)CC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C13H17N3O/c1-2-5-12-11(4-1)15-13(17-12)10-16-8-3-6-14-7-9-16/h1-2,4-5,14H,3,6-10H2/p+1