3-[(2,4,5-trimethoxyphenyl)methyl]azetidin-1-ium

Systemtic Name: 3-[(2,4,5-trimethoxyphenyl)methyl]azetidin-1-ium Openeye Name: 3-[(2,4,5-trimethoxyphenyl)methyl]azetidin-1-ium CAS Name: 3-[(2,4,5-trimethoxyphenyl)methyl]azetidin-1-ium IUPAC Name: 3-[(2,4,5-trimethoxyphenyl)methyl]azetidin-1-ium Traditional Name: 3-(2,4,5-trimethoxybenzyl)azetidin-1-ium Formula: C13H20NO3+ MolecularWeight: 238.3028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CC2C[NH2+]C2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CC2C[NH2+]C2)OC)OC

InChI

InChI=1S/C13H19NO3/c1-15-11-6-13(17-3)12(16-2)5-10(11)4-9-7-14-8-9/h5-6,9,14H,4,7-8H2,1-3H3/p+1