N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-pyridinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)nicotinamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN(CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H25N3O4/c25-21(18-2-1-5-22-15-18)24(7-6-23-8-10-26-11-9-23)16-17-3-4-19-20(14-17)28-13-12-27-19/h1-5,14-15H,6-13,16H2/p+1