6,7-dimethyl-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole

Systemtic Name: 6,7-dimethyl-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole Openeye Name: 6,7-dimethyl-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole CAS Name: 6,7-dimethyl-3-[2-(1-piperazin-4-iumyl)ethyl]-1,2-benzoxazole IUPAC Name: 6,7-dimethyl-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole Traditional Name: 6,7-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=C(C2=C(C=C1)C(=NO2)CCN3CC[NH2+]CC3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=NO2)CCN3CC[NH2+]CC3)C

InChI

InChI=1S/C15H21N3O/c1-11-3-4-13-14(17-19-15(13)12(11)2)5-8-18-9-6-16-7-10-18/h3-4,16H,5-10H2,1-2H3/p+1