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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CC[NH+]3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-13-17(21)19(10-9-18-7-3-2-4-8-18)15-11-14(12-20)5-6-16(15)22-13/h5-6,11-13H,2-4,7-10H2,1H3/p+1/t13-/m1/s1