3-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]azetidin-1-ium

Systemtic Name: 3-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]azetidin-1-ium Openeye Name: 3-[(3-ethoxy-4-isobutoxy-phenyl)methyl]azetidin-1-ium CAS Name: 3-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]azetidin-1-ium IUPAC Name: 3-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]azetidin-1-ium Traditional Name: 3-(3-ethoxy-4-isobutoxy-benzyl)azetidin-1-ium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-4-18-16-8-13(7-14-9-17-10-14)5-6-15(16)19-11-12(2)3/h5-6,8,12,14,17H,4,7,9-11H2,1-3H3/p+1