5,7-dimethyl-2-piperazin-4-ium-1-yl-1,3-benzoxazole

Systemtic Name: 5,7-dimethyl-2-piperazin-4-ium-1-yl-1,3-benzoxazole Openeye Name: 5,7-dimethyl-2-piperazin-4-ium-1-yl-1,3-benzoxazole CAS Name: 5,7-dimethyl-2-(1-piperazin-4-iumyl)-1,3-benzoxazole IUPAC Name: 5,7-dimethyl-2-piperazin-4-ium-1-yl-1,3-benzoxazole Traditional Name: 5,7-dimethyl-2-piperazin-4-ium-1-yl-1,3-benzoxazole Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)N3CC[NH2+]CC3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)N3CC[NH2+]CC3)C

InChI

InChI=1S/C13H17N3O/c1-9-7-10(2)12-11(8-9)15-13(17-12)16-5-3-14-4-6-16/h7-8,14H,3-6H2,1-2H3/p+1