5-chloranyl-3-piperidin-1-ium-4-yl-1,2-benzoxazole

Systemtic Name: 5-chloranyl-3-piperidin-1-ium-4-yl-1,2-benzoxazole Openeye Name: 5-chloro-3-piperidin-1-ium-4-yl-1,2-benzoxazole CAS Name: 5-chloro-3-(4-piperidin-1-iumyl)-1,2-benzoxazole IUPAC Name: 5-chloro-3-piperidin-1-ium-4-yl-1,2-benzoxazole Traditional Name: 5-chloro-3-piperidin-1-ium-4-yl-indoxazene Formula: C12H14ClN2O+ MolecularWeight: 237.70536

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=NOC3=C2C=C(C=C3)Cl

Isomeric SMILES

C1C[NH2+]CCC1C2=NOC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C12H13ClN2O/c13-9-1-2-11-10(7-9)12(15-16-11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2/p+1