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

Systemtic Name: 3-[(3-methoxy-4-propoxy-phenyl)methyl]azetidin-1-ium Openeye Name: 3-[(3-methoxy-4-propoxy-phenyl)methyl]azetidin-1-ium CAS Name: 3-[(3-methoxy-4-propoxyphenyl)methyl]azetidin-1-ium IUPAC Name: 3-[(3-methoxy-4-propoxyphenyl)methyl]azetidin-1-ium Traditional Name: 3-(3-methoxy-4-propoxy-benzyl)azetidin-1-ium Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC2C[NH2+]C2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC2C[NH2+]C2)OC

InChI

InChI=1S/C14H21NO2/c1-3-6-17-13-5-4-11(8-14(13)16-2)7-12-9-15-10-12/h4-5,8,12,15H,3,6-7,9-10H2,1-2H3/p+1