(2R)-6-azanyl-2-ethyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one

Systemtic Name: (2R)-6-azanyl-2-ethyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Openeye Name: (2R)-6-amino-2-ethyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: (2R)-6-amino-2-ethyl-4-[2-(1-piperidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-amino-2-ethyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: (2R)-6-amino-2-ethyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C17H26N3O2+ MolecularWeight: 304.40724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)N)CC[NH+]3CCCCC3

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)N)CC[NH+]3CCCCC3

InChI

InChI=1S/C17H25N3O2/c1-2-15-17(21)20(11-10-19-8-4-3-5-9-19)14-12-13(18)6-7-16(14)22-15/h6-7,12,15H,2-5,8-11,18H2,1H3/p+1/t15-/m1/s1