1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-2-propyl-pyridine-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-2-propyl-pyridine-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-propyl-pyridine-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-propyl-3-pyridinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-propylpyridine-3-carboxamide Traditional Name: 4-keto-6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-piperonyl-2-propyl-nicotinamide Formula: C25H34N3O5+ MolecularWeight: 456.55456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CCCC1=C(C(=O)C=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C25H33N3O5/c1-3-5-20-24(25(30)26-8-4-9-27-10-12-31-13-11-27)21(29)14-18(2)28(20)16-19-6-7-22-23(15-19)33-17-32-22/h6-7,14-15H,3-5,8-13,16-17H2,1-2H3,(H,26,30)/p+1