(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-pyridinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H25N3O2/c1-2-8-21-17(4-1)14-23-9-3-5-18(15-23)22-13-16-6-7-19-20(12-16)25-11-10-24-19/h1-2,4,6-8,12,18,22H,3,5,9-11,13-15H2/p+1/t18-/m0/s1