(3R)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[(1-propyl-4-piperidin-1-iumylidene)amino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(=NNC(=O)C2COC3=CC=CC=C3O2)CC1

Isomeric SMILES

CCC[NH+]1CCC(=NNC(=O)[C@H]2COC3=CC=CC=C3O2)CC1

InChI

InChI=1S/C17H23N3O3/c1-2-9-20-10-7-13(8-11-20)18-19-17(21)16-12-22-14-5-3-4-6-15(14)23-16/h3-6,16H,2,7-12H2,1H3,(H,19,21)/p+1/t16-/m1/s1