N-[[(3R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C20H23ClN3O3+ MolecularWeight: 388.86792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2Cl)OCO3)CNC(=O)C4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2Cl)OCO3)CNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H22ClN3O3/c21-17-8-19-18(26-13-27-19)7-16(17)12-24-6-2-3-14(11-24)9-23-20(25)15-4-1-5-22-10-15/h1,4-5,7-8,10,14H,2-3,6,9,11-13H2,(H,23,25)/p+1/t14-/m1/s1