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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)CC2C[NH2+]C2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)CC2C[NH2+]C2)OC

InChI

InChI=1S/C14H20ClNO2/c1-3-4-18-14-12(15)6-10(7-13(14)17-2)5-11-8-16-9-11/h6-7,11,16H,3-5,8-9H2,1-2H3/p+1