2-(1,2-benzoxazol-3-yl)-1-(1,4-diazepan-4-ium-1-yl)ethanone

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-1-(1,4-diazepan-4-ium-1-yl)ethanone Openeye Name: 2-(1,2-benzoxazol-3-yl)-1-(1,4-diazepan-4-ium-1-yl)ethanone CAS Name: 2-(1,2-benzoxazol-3-yl)-1-(1,4-diazepan-4-ium-1-yl)ethanone IUPAC Name: 2-(1,2-benzoxazol-3-yl)-1-(1,4-diazepan-4-ium-1-yl)ethanone Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-2-indoxazen-3-yl-ethanone Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CC2=NOC3=CC=CC=C32

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CC2=NOC3=CC=CC=C32

InChI

InChI=1S/C14H17N3O2/c18-14(17-8-3-6-15-7-9-17)10-12-11-4-1-2-5-13(11)19-16-12/h1-2,4-5,15H,3,6-10H2/p+1