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

Systemtic Name: (2R)-2-ethyl-3-oxidanylidene-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazine-6-carbaldehyde Openeye Name: (2R)-2-ethyl-3-oxo-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazine-6-carbaldehyde CAS Name: (2R)-2-ethyl-3-oxo-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: (2R)-2-ethyl-3-oxo-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazine-6-carbaldehyde Traditional Name: (2R)-2-ethyl-3-keto-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazine-6-carbaldehyde Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CC[NH+]3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-2-15-17(21)19(10-9-18-7-3-4-8-18)14-11-13(12-20)5-6-16(14)22-15/h5-6,11-12,15H,2-4,7-10H2,1H3/p+1/t15-/m1/s1