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

Systemtic Name: 5-chloranyl-7-methyl-2-piperazin-4-ium-1-yl-1,3-benzoxazole Openeye Name: 5-chloro-7-methyl-2-piperazin-4-ium-1-yl-1,3-benzoxazole CAS Name: 5-chloro-7-methyl-2-(1-piperazin-4-iumyl)-1,3-benzoxazole IUPAC Name: 5-chloro-7-methyl-2-piperazin-4-ium-1-yl-1,3-benzoxazole Traditional Name: 5-chloro-7-methyl-2-piperazin-4-ium-1-yl-1,3-benzoxazole Formula: C12H15ClN3O+ MolecularWeight: 252.72

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1OC(=N2)N3CC[NH2+]CC3)Cl

Isomeric SMILES

CC1=CC(=CC2=C1OC(=N2)N3CC[NH2+]CC3)Cl

InChI

InChI=1S/C12H14ClN3O/c1-8-6-9(13)7-10-11(8)17-12(15-10)16-4-2-14-3-5-16/h6-7,14H,2-5H2,1H3/p+1