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

Systemtic Name: (2S)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-[[4-(3,4-dimethoxyphenyl)-4-oxanyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Formula: C19H29N2O4+ MolecularWeight: 349.44456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCOCC2)CNC(=O)C3CCC[NH2+]3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCOCC2)CNC(=O)[C@@H]3CCC[NH2+]3)OC

InChI

InChI=1S/C19H28N2O4/c1-23-16-6-5-14(12-17(16)24-2)19(7-10-25-11-8-19)13-21-18(22)15-4-3-9-20-15/h5-6,12,15,20H,3-4,7-11,13H2,1-2H3,(H,21,22)/p+1/t15-/m0/s1