2-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoylamino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-oxomethyl]amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoylamino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoylamino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)NCC2COC3=CC=CC=C3O2)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)NC[C@H]2COC3=CC=CC=C3O2)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O4/c28-22(25-17-6-2-1-3-7-17)15-27-12-10-18(11-13-27)26-23(29)24-14-19-16-30-20-8-4-5-9-21(20)31-19/h1-9,18-19H,10-16H2,(H,25,28)(H2,24,26,29)/p+1/t19-/m0/s1