6-bromanyl-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazol-2-one

Systemtic Name: 6-bromanyl-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazol-2-one Openeye Name: 6-bromo-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazol-2-one CAS Name: 6-bromo-3-(1-piperidin-1-iumylmethyl)-1,3-benzoxazol-2-one IUPAC Name: 6-bromo-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazol-2-one Traditional Name: 6-bromo-3-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazol-2-one Formula: C13H16BrN2O2+ MolecularWeight: 312.18234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)Br)OC2=O

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)Br)OC2=O

InChI

InChI=1S/C13H15BrN2O2/c14-10-4-5-11-12(8-10)18-13(17)16(11)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2/p+1