(3,5-dimethyl-4-oxidanyl-phenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (3,5-dimethyl-4-oxidanyl-phenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium Openeye Name: (4-hydroxy-3,5-dimethyl-phenyl)methyl-(1-propylpiperidin-1-ium-4-yl)ammonium CAS Name: (4-hydroxy-3,5-dimethylphenyl)methyl-(1-propyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (4-hydroxy-3,5-dimethylphenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium Traditional Name: (4-hydroxy-3,5-dimethyl-benzyl)-(1-propylpiperidin-1-ium-4-yl)ammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC(=C(C(=C2)C)O)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC(=C(C(=C2)C)O)C

InChI

InChI=1S/C17H28N2O/c1-4-7-19-8-5-16(6-9-19)18-12-15-10-13(2)17(20)14(3)11-15/h10-11,16,18,20H,4-9,12H2,1-3H3/p+2