1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]azepan-1-ium

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]azepan-1-ium CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]azepan-1-ium Traditional Name: 1-(1-piperonylpiperidin-1-ium-4-yl)azepan-1-ium Formula: C19H30N2O2+2 MolecularWeight: 318.4537

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC[NH+](CC1)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H28N2O2/c1-2-4-10-21(9-3-1)17-7-11-20(12-8-17)14-16-5-6-18-19(13-16)23-15-22-18/h5-6,13,17H,1-4,7-12,14-15H2/p+2