(2R)-6-(2-chloranylethanoyl)-2-propan-2-yl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one

Systemtic Name: (2R)-6-(2-chloranylethanoyl)-2-propan-2-yl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Openeye Name: (2R)-6-(2-chloroacetyl)-2-isopropyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: (2R)-6-(2-chloro-1-oxoethyl)-2-propan-2-yl-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-(2-chloroacetyl)-2-propan-2-yl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: (2R)-6-(2-chloroacetyl)-2-isopropyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C19H26ClN2O3+ MolecularWeight: 365.87434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC[NH+]3CCCC3

Isomeric SMILES

CC(C)[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)CC[NH+]3CCCC3

InChI

InChI=1S/C19H25ClN2O3/c1-13(2)18-19(24)22(10-9-21-7-3-4-8-21)15-11-14(16(23)12-20)5-6-17(15)25-18/h5-6,11,13,18H,3-4,7-10,12H2,1-2H3/p+1/t18-/m1/s1