3-[(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)methyl]azetidin-1-ium

Systemtic Name: 3-[(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)methyl]azetidin-1-ium Openeye Name: 3-[(3-chloro-4-isopropoxy-5-methoxy-phenyl)methyl]azetidin-1-ium CAS Name: 3-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]azetidin-1-ium IUPAC Name: 3-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]azetidin-1-ium Traditional Name: 3-(3-chloro-4-isopropoxy-5-methoxy-benzyl)azetidin-1-ium Formula: C14H21ClNO2+ MolecularWeight: 270.77504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)CC2C[NH2+]C2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)CC2C[NH2+]C2)OC

InChI

InChI=1S/C14H20ClNO2/c1-9(2)18-14-12(15)5-10(6-13(14)17-3)4-11-7-16-8-11/h5-6,9,11,16H,4,7-8H2,1-3H3/p+1