(2S)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-methyl-N-veratryl-pyrrolidin-1-ium-2-carboxamide Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1C(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+]1CCC[C@H]1C(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C15H22N2O3/c1-17-8-4-5-12(17)15(18)16-10-11-6-7-13(19-2)14(9-11)20-3/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,16,18)/p+1/t12-/m0/s1