5,6-dimethoxy-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole

Systemtic Name: 5,6-dimethoxy-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole Openeye Name: 5,6-dimethoxy-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole CAS Name: 5,6-dimethoxy-3-[2-(1-piperazin-4-iumyl)ethyl]-1,2-benzoxazole IUPAC Name: 5,6-dimethoxy-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole Traditional Name: 5,6-dimethoxy-3-(2-piperazin-4-ium-1-ylethyl)indoxazene Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NO2)CCN3CC[NH2+]CC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NO2)CCN3CC[NH2+]CC3)OC

InChI

InChI=1S/C15H21N3O3/c1-19-14-9-11-12(3-6-18-7-4-16-5-8-18)17-21-13(11)10-15(14)20-2/h9-10,16H,3-8H2,1-2H3/p+1