N-[[(3R)-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[(3R)-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[(3R)-1-(8-quinolylmethyl)piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(3R)-1-(8-quinolinylmethyl)-3-piperidin-1-iumyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[(3R)-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[(3R)-1-(8-quinolylmethyl)piperidin-1-ium-3-yl]methyl]-piperonylamide Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC3=C2N=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC3=C2N=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N3O3/c28-24(19-8-9-21-22(12-19)30-16-29-21)26-13-17-4-3-11-27(14-17)15-20-6-1-5-18-7-2-10-25-23(18)20/h1-2,5-10,12,17H,3-4,11,13-16H2,(H,26,28)/p+1/t17-/m1/s1