N-(2,5-dimethoxyphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: N-(2,5-dimethoxyphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: N-(2,5-dimethoxyphenyl)-3-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(2,5-dimethoxyphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(2,5-dimethoxyphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCC(=O)NC2=C(C=CC(=C2)OC)OC)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)CCC(=O)NC2=C(C=CC(=C2)OC)OC)C

InChI

InChI=1S/C18H28N2O3/c1-13-9-14(2)12-20(11-13)8-7-18(21)19-16-10-15(22-3)5-6-17(16)23-4/h5-6,10,13-14H,7-9,11-12H2,1-4H3,(H,19,21)/p+1/t13-,14+