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

Systemtic Name: [(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methoxyphenyl)methanone Openeye Name: [(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methoxyphenyl)methanone CAS Name: [(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-(2-methoxyphenyl)methanone IUPAC Name: [(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methoxyphenyl)methanone Traditional Name: [(3R)-1-(2,4-dimethoxybenzyl)piperidin-1-ium-3-yl]-(2-methoxyphenyl)methanone Formula: C22H28NO4+ MolecularWeight: 370.46202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCCC(C2)C(=O)C3=CC=CC=C3OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC[C@H](C2)C(=O)C3=CC=CC=C3OC)OC

InChI

InChI=1S/C22H27NO4/c1-25-18-11-10-16(21(13-18)27-3)14-23-12-6-7-17(15-23)22(24)19-8-4-5-9-20(19)26-2/h4-5,8-11,13,17H,6-7,12,14-15H2,1-3H3/p+1/t17-/m1/s1