1,3-benzodioxol-5-yl-[(3R)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3R)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3R)-1-(2-quinolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3R)-1-(2-quinolinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3R)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3R)-1-(2-quinolylmethyl)piperidin-1-ium-3-yl]methanone Formula: C23H23N2O3+ MolecularWeight: 375.44032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3/c26-23(17-8-10-21-22(12-17)28-15-27-21)18-5-3-11-25(13-18)14-19-9-7-16-4-1-2-6-20(16)24-19/h1-2,4,6-10,12,18H,3,5,11,13-15H2/p+1/t18-/m1/s1