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

Systemtic Name: 5-chloranyl-4,6-dimethyl-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole Openeye Name: 5-chloro-4,6-dimethyl-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole CAS Name: 5-chloro-4,6-dimethyl-3-[2-(1-piperazin-4-iumyl)ethyl]-1,2-benzoxazole IUPAC Name: 5-chloro-4,6-dimethyl-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole Traditional Name: 5-chloro-4,6-dimethyl-3-(2-piperazin-4-ium-1-ylethyl)indoxazene Formula: C15H21ClN3O+ MolecularWeight: 294.79974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)C)C(=NO2)CCN3CC[NH2+]CC3

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)C)C(=NO2)CCN3CC[NH2+]CC3

InChI

InChI=1S/C15H20ClN3O/c1-10-9-13-14(11(2)15(10)16)12(18-20-13)3-6-19-7-4-17-5-8-19/h9,17H,3-8H2,1-2H3/p+1