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

Systemtic Name: [(3S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3S)-1-piperonylpiperidin-1-ium-3-yl]-pyrrolidino-methanone Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CCC[NH+](C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H24N2O3/c21-18(20-8-1-2-9-20)15-4-3-7-19(12-15)11-14-5-6-16-17(10-14)23-13-22-16/h5-6,10,15H,1-4,7-9,11-13H2/p+1/t15-/m0/s1