(3R)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2COC3=CC=CC=C3O2)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)[C@H]2COC3=CC=CC=C3O2)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4/c26-21(23-16-6-2-1-3-7-16)14-25-12-10-17(11-13-25)24-22(27)20-15-28-18-8-4-5-9-19(18)29-20/h1-9,17,20H,10-15H2,(H,23,26)(H,24,27)/p+1/t20-/m1/s1