3-[(3-chloranyl-4,5-dimethoxy-phenyl)methyl]azetidin-1-ium

Systemtic Name: 3-[(3-chloranyl-4,5-dimethoxy-phenyl)methyl]azetidin-1-ium Openeye Name: 3-[(3-chloro-4,5-dimethoxy-phenyl)methyl]azetidin-1-ium CAS Name: 3-[(3-chloro-4,5-dimethoxyphenyl)methyl]azetidin-1-ium IUPAC Name: 3-[(3-chloro-4,5-dimethoxyphenyl)methyl]azetidin-1-ium Traditional Name: 3-(3-chloro-4,5-dimethoxy-benzyl)azetidin-1-ium Formula: C12H17ClNO2+ MolecularWeight: 242.72188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2C[NH2+]C2)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2C[NH2+]C2)Cl)OC

InChI

InChI=1S/C12H16ClNO2/c1-15-11-5-8(3-9-6-14-7-9)4-10(13)12(11)16-2/h4-5,9,14H,3,6-7H2,1-2H3/p+1