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

Systemtic Name: 3-oxidanylidene-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazine-6-carbaldehyde Openeye Name: 3-oxo-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazine-6-carbaldehyde CAS Name: 3-oxo-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: 3-oxo-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazine-6-carbaldehyde Traditional Name: 3-keto-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazine-6-carbaldehyde Formula: C15H19N2O3+ MolecularWeight: 275.32296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C(=O)COC3=C2C=C(C=C3)C=O

Isomeric SMILES

C1CC[NH+](C1)CCN2C(=O)COC3=C2C=C(C=C3)C=O

InChI

InChI=1S/C15H18N2O3/c18-10-12-3-4-14-13(9-12)17(15(19)11-20-14)8-7-16-5-1-2-6-16/h3-4,9-10H,1-2,5-8,11H2/p+1