(3-methoxy-4-oxidanyl-phenyl)methyl-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]azanium

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-[3-[(2R)-2-methyl-1-piperidin-1-iumyl]propyl]ammonium IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Traditional Name: 3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl-vanillyl-ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]CC2=CC(=C(C=C2)O)OC

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CCC[NH2+]CC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C17H28N2O2/c1-14-6-3-4-10-19(14)11-5-9-18-13-15-7-8-16(20)17(12-15)21-2/h7-8,12,14,18,20H,3-6,9-11,13H2,1-2H3/p+2/t14-/m1/s1