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

Systemtic Name: (3,4-dimethoxyphenyl)-[(3R)-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[(3R)-1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[(3R)-1-[(5-ethyl-2-furanyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[(3R)-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[(3R)-1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-3-yl]methanone Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCCC(C2)C(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC[C@H](C2)C(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H27NO4/c1-4-17-8-9-18(26-17)14-22-11-5-6-16(13-22)21(23)15-7-10-19(24-2)20(12-15)25-3/h7-10,12,16H,4-6,11,13-14H2,1-3H3/p+1/t16-/m1/s1