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

Systemtic Name: (3S)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C15H20N3O3+ MolecularWeight: 290.3376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3/c1-18-8-6-11(7-9-18)16-17-15(19)14-10-20-12-4-2-3-5-13(12)21-14/h2-5,14H,6-10H2,1H3,(H,17,19)/p+1/t14-/m0/s1