(3,5-dimethyl-4-oxidanyl-phenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium

Systemtic Name: (3,5-dimethyl-4-oxidanyl-phenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Openeye Name: (4-hydroxy-3,5-dimethyl-phenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium CAS Name: (4-hydroxy-3,5-dimethylphenyl)methyl-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]ammonium IUPAC Name: (4-hydroxy-3,5-dimethylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Traditional Name: (4-hydroxy-3,5-dimethyl-benzyl)-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium Formula: C18H32N2O+2 MolecularWeight: 292.45948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O/c1-14-11-17(12-15(2)18(14)21)13-19-8-6-10-20-9-5-4-7-16(20)3/h11-12,16,19,21H,4-10,13H2,1-3H3/p+2/t16-/m0/s1