1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-2-hydroxy-3-veratryloxy-propyl]piperidin-1-ium-4-carboxamide Formula: C18H29N2O5+ MolecularWeight: 353.43326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COCC(C[NH+]2CCC(CC2)C(=O)N)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC[C@H](C[NH+]2CCC(CC2)C(=O)N)O)OC

InChI

InChI=1S/C18H28N2O5/c1-23-16-4-3-13(9-17(16)24-2)11-25-12-15(21)10-20-7-5-14(6-8-20)18(19)22/h3-4,9,14-15,21H,5-8,10-12H2,1-2H3,(H2,19,22)/p+1/t15-/m0/s1