(6-chloranyl-1,3-benzodioxol-5-yl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium Openeye Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-(3-pyridylmethyl)-(4-pyridylmethyl)ammonium CAS Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-(3-pyridinylmethyl)-(pyridin-4-ylmethyl)ammonium IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium Traditional Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-(3-pyridylmethyl)-(4-pyridylmethyl)ammonium Formula: C20H19ClN3O2+ MolecularWeight: 368.83676

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C[NH+](CC3=CC=NC=C3)CC4=CN=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C[NH+](CC3=CC=NC=C3)CC4=CN=CC=C4)Cl

InChI

InChI=1S/C20H18ClN3O2/c21-18-9-20-19(25-14-26-20)8-17(18)13-24(11-15-3-6-22-7-4-15)12-16-2-1-5-23-10-16/h1-10H,11-14H2/p+1