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

Systemtic Name: (2R)-1-butyl-N-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-butyl-N-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-butyl-N-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-butyl-N-veratryl-pyrrolidin-1-ium-2-carboxamide Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-4-5-10-20-11-6-7-15(20)18(21)19-13-14-8-9-16(22-2)17(12-14)23-3/h8-9,12,15H,4-7,10-11,13H2,1-3H3,(H,19,21)/p+1/t15-/m1/s1