6-chloranyl-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one chloride

Systemtic Name: 6-chloranyl-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one chloride Openeye Name: 6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one chloride CAS Name: 6-chloro-2-methyl-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one chloride IUPAC Name: 6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one chloride Traditional Name: 6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one chloride Formula: C15H20Cl2N2O2 MolecularWeight: 331.2375

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC[NH+]3CCCC3.[Cl-]

Isomeric SMILES

CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC[NH+]3CCCC3.[Cl-]

InChI

InChI=1S/C15H19ClN2O2.ClH/c1-11-15(19)18(9-8-17-6-2-3-7-17)13-10-12(16)4-5-14(13)20-11;/h4-5,10-11H,2-3,6-9H2,1H3;1H