2-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-3-ylcarbonyl)amino]ethylazanium

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-3-ylcarbonyl)amino]ethylazanium Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridine-3-carbonyl)amino]ethylammonium CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl-[oxo(3-pyridinyl)methyl]amino]ethylammonium IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridine-3-carbonyl)amino]ethylazanium Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(nicotinoyl)amino]ethylammonium Formula: C16H18N3O3+ MolecularWeight: 300.33242

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CC[NH3+])C(=O)C3=CN=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(CC[NH3+])C(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H17N3O3/c17-5-7-19(16(20)12-2-1-6-18-11-12)13-3-4-14-15(10-13)22-9-8-21-14/h1-4,6,10-11H,5,7-9,17H2/p+1