(2R)-2-ethyl-3-oxidanylidene-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazine-6-carbaldehyde

Systemtic Name: (2R)-2-ethyl-3-oxidanylidene-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazine-6-carbaldehyde Openeye Name: (2R)-2-ethyl-3-oxo-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazine-6-carbaldehyde CAS Name: (2R)-2-ethyl-3-oxo-4-[2-(1-piperidin-1-iumyl)ethyl]-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: (2R)-2-ethyl-3-oxo-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazine-6-carbaldehyde Traditional Name: (2R)-2-ethyl-3-keto-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazine-6-carbaldehyde Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3/c1-2-16-18(22)20(11-10-19-8-4-3-5-9-19)15-12-14(13-21)6-7-17(15)23-16/h6-7,12-13,16H,2-5,8-11H2,1H3/p+1/t16-/m1/s1