4-pyrrolidin-1-ium-3-yl-1,4-benzoxazin-3-one chloride

Systemtic Name: 4-pyrrolidin-1-ium-3-yl-1,4-benzoxazin-3-one chloride Openeye Name: 4-pyrrolidin-1-ium-3-yl-1,4-benzoxazin-3-one chloride CAS Name: 4-(3-pyrrolidin-1-iumyl)-1,4-benzoxazin-3-one chloride IUPAC Name: 4-pyrrolidin-1-ium-3-yl-1,4-benzoxazin-3-one chloride Traditional Name: 4-pyrrolidin-1-ium-3-yl-1,4-benzoxazin-3-one chloride Formula: C12H15ClN2O2 MolecularWeight: 254.7127

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC1N2C(=O)COC3=CC=CC=C32.[Cl-]

Isomeric SMILES

C1C[NH2+]CC1N2C(=O)COC3=CC=CC=C32.[Cl-]

InChI

InChI=1S/C12H14N2O2.ClH/c15-12-8-16-11-4-2-1-3-10(11)14(12)9-5-6-13-7-9;/h1-4,9,13H,5-8H2;1H