N-[(1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-cyclopropyl-pyridine-2-carboxamide

Systemtic Name: N-[(1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-cyclopropyl-pyridine-2-carboxamide Openeye Name: N-[(1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-cyclopropyl-pyridine-2-carboxamide CAS Name: N-[(1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumyl]-2-phenylethyl]-N-cyclopropyl-2-pyridinecarboxamide IUPAC Name: N-[(1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-2-phenylethyl]-N-cyclopropylpyridine-2-carboxamide Traditional Name: N-cyclopropyl-N-[(1R)-2-phenyl-1-(1-piperonylpiperidin-1-ium-4-yl)ethyl]picolinamide Formula: C30H34N3O3+ MolecularWeight: 484.60926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(C(CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CC=N6

Isomeric SMILES

C1CC1N([C@H](CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CC=N6

InChI

InChI=1S/C30H33N3O3/c34-30(26-8-4-5-15-31-26)33(25-10-11-25)27(18-22-6-2-1-3-7-22)24-13-16-32(17-14-24)20-23-9-12-28-29(19-23)36-21-35-28/h1-9,12,15,19,24-25,27H,10-11,13-14,16-18,20-21H2/p+1/t27-/m1/s1