5,7-dimethyl-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole

Systemtic Name: 5,7-dimethyl-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole Openeye Name: 5,7-dimethyl-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole CAS Name: 5,7-dimethyl-3-[2-(1-piperazin-4-iumyl)ethyl]-1,2-benzoxazole IUPAC Name: 5,7-dimethyl-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole Traditional Name: 5,7-dimethyl-3-(2-piperazin-4-ium-1-ylethyl)indoxazene Formula: C15H22N3O+ MolecularWeight: 260.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=NO2)CCN3CC[NH2+]CC3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=NO2)CCN3CC[NH2+]CC3)C

InChI

InChI=1S/C15H21N3O/c1-11-9-12(2)15-13(10-11)14(17-19-15)3-6-18-7-4-16-5-8-18/h9-10,16H,3-8H2,1-2H3/p+1