N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2)OCCO3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2)OCCO3)CC(=O)NC4=CC=CC=C4

InChI

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