(3-ethoxy-4-oxidanyl-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (3-ethoxy-4-oxidanyl-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (3-ethoxy-4-hydroxy-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (3-ethoxy-4-hydroxyphenyl)methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (3-ethoxy-4-hydroxyphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (3-ethoxy-4-hydroxy-benzyl)-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+](C)C2CC[NH+](CC2)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+](C)C2CC[NH+](CC2)C)O

InChI

InChI=1S/C16H26N2O2/c1-4-20-16-11-13(5-6-15(16)19)12-18(3)14-7-9-17(2)10-8-14/h5-6,11,14,19H,4,7-10,12H2,1-3H3/p+2