1,3-benzodioxol-5-yl-[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3R)-1-[(3,4-dimethylphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3R)-1-[(3,4-dimethylphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3R)-1-(3,4-dimethylbenzyl)piperidin-1-ium-3-yl]methanone Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+]2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+]2CCC[C@H](C2)C(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H25NO3/c1-15-5-6-17(10-16(15)2)12-23-9-3-4-19(13-23)22(24)18-7-8-20-21(11-18)26-14-25-20/h5-8,10-11,19H,3-4,9,12-14H2,1-2H3/p+1/t19-/m1/s1