[(2R,4S)-2-[(3-methoxy-4-oxidanyl-phenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]methylazanium

Systemtic Name: [(2R,4S)-2-[(3-methoxy-4-oxidanyl-phenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]methylazanium Openeye Name: [(2R,4S)-2-[(4-hydroxy-3-methoxy-phenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]methylammonium CAS Name: [(2R,4S)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]methylammonium IUPAC Name: [(2R,4S)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]methylazanium Traditional Name: [(2R,4S)-2-methyl-2-vanillyl-1,3-dioxolan-4-yl]methylammonium Formula: C13H20NO4+ MolecularWeight: 254.3022

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C[NH3+])CC2=CC(=C(C=C2)O)OC

Isomeric SMILES

C[C@]1(OC[C@@H](O1)C[NH3+])CC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C13H19NO4/c1-13(17-8-10(7-14)18-13)6-9-3-4-11(15)12(5-9)16-2/h3-5,10,15H,6-8,14H2,1-2H3/p+1/t10-,13+/m0/s1