N-[[(3S)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[(3S)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[(3S)-1-(2-quinolylmethyl)piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(3S)-1-(2-quinolinylmethyl)-3-piperidin-1-iumyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[(3S)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[(3S)-1-(2-quinolylmethyl)piperidin-1-ium-3-yl]methyl]-piperonylamide Formula: C24H26N3O3+ MolecularWeight: 404.48154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=CC=CC=C3C=C2)CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=NC3=CC=CC=C3C=C2)CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N3O3/c28-24(19-8-10-22-23(12-19)30-16-29-22)25-13-17-4-3-11-27(14-17)15-20-9-7-18-5-1-2-6-21(18)26-20/h1-2,5-10,12,17H,3-4,11,13-16H2,(H,25,28)/p+1/t17-/m0/s1