3-[(3-chloranyl-5-ethoxy-4-methoxy-phenyl)methyl]azetidin-1-ium

Systemtic Name: 3-[(3-chloranyl-5-ethoxy-4-methoxy-phenyl)methyl]azetidin-1-ium Openeye Name: 3-[(3-chloro-5-ethoxy-4-methoxy-phenyl)methyl]azetidin-1-ium CAS Name: 3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]azetidin-1-ium IUPAC Name: 3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]azetidin-1-ium Traditional Name: 3-(3-chloro-5-ethoxy-4-methoxy-benzyl)azetidin-1-ium Formula: C13H19ClNO2+ MolecularWeight: 256.74846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CC2C[NH2+]C2)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CC2C[NH2+]C2)Cl)OC

InChI

InChI=1S/C13H18ClNO2/c1-3-17-12-6-9(4-10-7-15-8-10)5-11(14)13(12)16-2/h5-6,10,15H,3-4,7-8H2,1-2H3/p+1