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

Systemtic Name: 7-chloranyl-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole Openeye Name: 7-chloro-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole CAS Name: 7-chloro-3-[2-(1-piperazin-4-iumyl)ethyl]-1,2-benzoxazole IUPAC Name: 7-chloro-3-(2-piperazin-4-ium-1-ylethyl)-1,2-benzoxazole Traditional Name: 7-chloro-3-(2-piperazin-4-ium-1-ylethyl)indoxazene Formula: C13H17ClN3O+ MolecularWeight: 266.74658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCC2=NOC3=C2C=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH2+]1)CCC2=NOC3=C2C=CC=C3Cl

InChI

InChI=1S/C13H16ClN3O/c14-11-3-1-2-10-12(16-18-13(10)11)4-7-17-8-5-15-6-9-17/h1-3,15H,4-9H2/p+1