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

Systemtic Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NC=C2)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NC=C2)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H23N3O2/c1-2-17(14-22(9-1)13-15-5-7-20-8-6-15)21-16-3-4-18-19(12-16)24-11-10-23-18/h3-8,12,17,21H,1-2,9-11,13-14H2/p+1/t17-/m0/s1