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

Systemtic Name: 5-ethoxy-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole Openeye Name: 5-ethoxy-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole CAS Name: 5-ethoxy-3-[2-(1-piperazin-4-iumyl)ethyl]-1,2-benzoxazole IUPAC Name: 5-ethoxy-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole Traditional Name: 5-ethoxy-3-(2-piperazin-4-ium-1-ylethyl)indoxazene Formula: C15H22N3O2+ MolecularWeight: 276.35408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)ON=C2CCN3CC[NH2+]CC3

Isomeric SMILES

CCOC1=CC2=C(C=C1)ON=C2CCN3CC[NH2+]CC3

InChI

InChI=1S/C15H21N3O2/c1-2-19-12-3-4-15-13(11-12)14(17-20-15)5-8-18-9-6-16-7-10-18/h3-4,11,16H,2,5-10H2,1H3/p+1