cyclohexyl-[(2S)-2-oxidanyl-2-(3,4,5-trimethoxyphenyl)ethyl]azanium

Systemtic Name: cyclohexyl-[(2S)-2-oxidanyl-2-(3,4,5-trimethoxyphenyl)ethyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]ammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]azanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]ammonium Formula: C17H28NO4+ MolecularWeight: 310.40852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C[NH2+]C2CCCCC2)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@@H](C[NH2+]C2CCCCC2)O

InChI

InChI=1S/C17H27NO4/c1-20-15-9-12(10-16(21-2)17(15)22-3)14(19)11-18-13-7-5-4-6-8-13/h9-10,13-14,18-19H,4-8,11H2,1-3H3/p+1/t14-/m1/s1