(2-methoxyphenyl)methyl-[[(1S)-2-oxidanylidenecyclohexyl]methyl]-(phenylmethyl)azanium

Systemtic Name: (2-methoxyphenyl)methyl-[[(1S)-2-oxidanylidenecyclohexyl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2-methoxyphenyl)methyl]-[[(1S)-2-oxocyclohexyl]methyl]ammonium CAS Name: (2-methoxyphenyl)methyl-[[(1S)-2-oxocyclohexyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2-methoxyphenyl)methyl]-[[(1S)-2-oxocyclohexyl]methyl]azanium Traditional Name: benzyl-[[(1S)-2-ketocyclohexyl]methyl]-o-anisyl-ammonium Formula: C22H28NO2+ MolecularWeight: 338.46322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+](CC2CCCCC2=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C[NH+](C[C@@H]2CCCCC2=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H27NO2/c1-25-22-14-8-6-12-20(22)17-23(15-18-9-3-2-4-10-18)16-19-11-5-7-13-21(19)24/h2-4,6,8-10,12,14,19H,5,7,11,13,15-17H2,1H3/p+1/t19-/m0/s1