(2,4-dimethoxyphenyl)-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(5-methyl-2-furanyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-3-yl]methanone Formula: C20H26NO4+ MolecularWeight: 344.42474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCCC(C2)C(=O)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C20H25NO4/c1-14-6-7-17(25-14)13-21-10-4-5-15(12-21)20(22)18-9-8-16(23-2)11-19(18)24-3/h6-9,11,15H,4-5,10,12-13H2,1-3H3/p+1/t15-/m0/s1