1,3-benzodioxol-5-ylmethyl-[2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl]-(4-pyridylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2,2-dimethyl-3-(4-methyl-1-piperidin-1-iumyl)propyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl]-piperonyl-(4-pyridylmethyl)ammonium Formula: C25H37N3O2+2 MolecularWeight: 411.58018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(C)(C)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CC[NH+](CC1)CC(C)(C)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H35N3O2/c1-20-8-12-27(13-9-20)17-25(2,3)18-28(15-21-6-10-26-11-7-21)16-22-4-5-23-24(14-22)30-19-29-23/h4-7,10-11,14,20H,8-9,12-13,15-19H2,1-3H3/p+2