[4-[[(3S)-1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-3-yl]methoxy]phenyl]methyl-methyl-phenethyl-azanium

Systemtic Name: [4-[[(3S)-1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-3-yl]methoxy]phenyl]methyl-methyl-phenethyl-azanium Openeye Name: [4-[[(3S)-1-(1,3-benzodioxole-5-carbonyl)-3-piperidyl]methoxy]phenyl]methyl-methyl-phenethyl-ammonium CAS Name: [4-[[(3S)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-piperidinyl]methoxy]phenyl]methyl-methyl-phenethylammonium IUPAC Name: [4-[[(3S)-1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl-methyl-phenethylazanium Traditional Name: methyl-phenethyl-[4-[[(3S)-1-piperonyloyl-3-piperidyl]methoxy]benzyl]ammonium Formula: C30H35N2O4+ MolecularWeight: 487.6099

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CC2=CC=C(C=C2)OCC3CCCN(C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CC2=CC=C(C=C2)OC[C@H]3CCCN(C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H34N2O4/c1-31(17-15-23-6-3-2-4-7-23)19-24-9-12-27(13-10-24)34-21-25-8-5-16-32(20-25)30(33)26-11-14-28-29(18-26)36-22-35-28/h2-4,6-7,9-14,18,25H,5,8,15-17,19-22H2,1H3/p+1/t25-/m0/s1