1,3-benzodioxol-5-yl-[(3S)-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-(8-quinolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-(8-quinolinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-(8-quinolylmethyl)piperidin-1-ium-3-yl]methanone Formula: C23H23N2O3+ MolecularWeight: 375.44032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3/c26-23(17-8-9-20-21(12-17)28-15-27-20)19-7-3-11-25(14-19)13-18-5-1-4-16-6-2-10-24-22(16)18/h1-2,4-6,8-10,12,19H,3,7,11,13-15H2/p+1/t19-/m0/s1