[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(2,4-dimethoxyphenyl)methanone

Systemtic Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(2,4-dimethoxyphenyl)methanone Openeye Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(2,4-dimethoxyphenyl)methanone CAS Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-1-iumyl]-(2,4-dimethoxyphenyl)methanone IUPAC Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(2,4-dimethoxyphenyl)methanone Traditional Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(2,4-dimethoxyphenyl)methanone Formula: C22H26NO5+ MolecularWeight: 384.44554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4)OC

InChI

InChI=1S/C22H25NO5/c1-25-17-8-9-18(20(11-17)26-2)21(24)15-6-4-10-23(12-15)13-16-5-3-7-19-22(16)28-14-27-19/h3,5,7-9,11,15H,4,6,10,12-14H2,1-2H3/p+1/t15-/m0/s1