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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5/c1-25-18-9-8-15(11-20(18)26-2)21(24)16-6-4-10-23(12-16)13-17-5-3-7-19-22(17)28-14-27-19/h3,5,7-9,11,16H,4,6,10,12-14H2,1-2H3/p+1/t16-/m0/s1