[1-[[(3-methoxy-4-oxidanyl-phenyl)methylazaniumyl]methyl]cyclohexyl]-dimethyl-azanium

Systemtic Name: [1-[[(3-methoxy-4-oxidanyl-phenyl)methylazaniumyl]methyl]cyclohexyl]-dimethyl-azanium Openeye Name: [1-[[(4-hydroxy-3-methoxy-phenyl)methylammonio]methyl]cyclohexyl]-dimethyl-ammonium CAS Name: [1-[[(4-hydroxy-3-methoxyphenyl)methylammonio]methyl]cyclohexyl]-dimethylammonium IUPAC Name: [1-[[(4-hydroxy-3-methoxyphenyl)methylazaniumyl]methyl]cyclohexyl]-dimethylazanium Traditional Name: dimethyl-[1-[(vanillylammonio)methyl]cyclohexyl]ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCC1)C[NH2+]CC2=CC(=C(C=C2)O)OC

Isomeric SMILES

C[NH+](C)C1(CCCCC1)C[NH2+]CC2=CC(=C(C=C2)O)OC

InChI

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