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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]azanium Traditional Name: 3-(4-benzylpiperidin-1-ium-1-yl)propyl-piperonyl-ammonium Formula: C23H32N2O2+2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CCC[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CCC[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H30N2O2/c1-2-5-19(6-3-1)15-20-9-13-25(14-10-20)12-4-11-24-17-21-7-8-22-23(16-21)27-18-26-22/h1-3,5-8,16,20,24H,4,9-15,17-18H2/p+2