N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-6-methyl-4-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-6-methyl-4-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-6-methyl-4-oxo-1-[2-(1-piperidin-1-iumyl)ethyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-ethyl-4-keto-6-methyl-1-(2-piperidin-1-ium-1-ylethyl)nicotinamide Formula: C25H34N3O4+ MolecularWeight: 440.55516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C25H33N3O4/c1-3-20-24(21(29)15-18(2)28(20)14-13-27-11-7-4-8-12-27)25(30)26-16-19-17-31-22-9-5-6-10-23(22)32-19/h5-6,9-10,15,19H,3-4,7-8,11-14,16-17H2,1-2H3,(H,26,30)/p+1/t19-/m0/s1