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

Systemtic Name: 5-methyl-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole Openeye Name: 5-methyl-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole CAS Name: 5-methyl-3-[2-(1-piperazin-4-iumyl)ethyl]-1,2-benzoxazole IUPAC Name: 5-methyl-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole Traditional Name: 5-methyl-3-(2-piperazin-4-ium-1-ylethyl)indoxazene Formula: C14H20N3O+ MolecularWeight: 246.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)ON=C2CCN3CC[NH2+]CC3

Isomeric SMILES

CC1=CC2=C(C=C1)ON=C2CCN3CC[NH2+]CC3

InChI

InChI=1S/C14H19N3O/c1-11-2-3-14-12(10-11)13(16-18-14)4-7-17-8-5-15-6-9-17/h2-3,10,15H,4-9H2,1H3/p+1