3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole

Systemtic Name: 3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole Openeye Name: 3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole CAS Name: 3-[2-(1-piperazin-4-iumyl)ethyl]-1,2-benzoxazole IUPAC Name: 3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole Traditional Name: 3-(2-piperazin-4-ium-1-ylethyl)indoxazene Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCC2=NOC3=CC=CC=C32

Isomeric SMILES

C1CN(CC[NH2+]1)CCC2=NOC3=CC=CC=C32

InChI

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