2-(1,3-benzodioxol-5-yl)ethyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-(1-benzylpiperidin-1-ium-4-yl)ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-(1-benzylpiperidin-1-ium-4-yl)azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-homopiperonyl-ammonium Formula: C21H28N2O2+2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]CCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH2+]CCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N2O2/c1-2-4-18(5-3-1)15-23-12-9-19(10-13-23)22-11-8-17-6-7-20-21(14-17)25-16-24-20/h1-7,14,19,22H,8-13,15-16H2/p+2