[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-chlorophenyl)methanone

Systemtic Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-chlorophenyl)methanone Openeye Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-chlorophenyl)methanone CAS Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-1-iumyl]-(4-chlorophenyl)methanone IUPAC Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-chlorophenyl)methanone Traditional Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-chlorophenyl)methanone Formula: C20H21ClNO3+ MolecularWeight: 358.83864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C3C(=CC=C2)OCO3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C3C(=CC=C2)OCO3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClNO3/c21-17-8-6-14(7-9-17)19(23)15-4-2-10-22(11-15)12-16-3-1-5-18-20(16)25-13-24-18/h1,3,5-9,15H,2,4,10-13H2/p+1/t15-/m0/s1