(3,5-dimethyl-4-oxidanyl-phenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[NH2+]CCC[NH+]2CCCCC2

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[NH2+]CCC[NH+]2CCCCC2

InChI

InChI=1S/C17H28N2O/c1-14-11-16(12-15(2)17(14)20)13-18-7-6-10-19-8-4-3-5-9-19/h11-12,18,20H,3-10,13H2,1-2H3/p+2