cyclohexyl-[[(3S)-1-[(3-methoxyphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]-methyl-azanium

Systemtic Name: cyclohexyl-[[(3S)-1-[(3-methoxyphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxo-3-piperidyl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxo-3-piperidinyl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]methyl]-methylazanium Traditional Name: cyclohexyl-[[(3S)-3-hydroxy-2-keto-1-m-anisyl-3-piperidyl]methyl]-methyl-ammonium Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1(CCCN(C1=O)CC2=CC(=CC=C2)OC)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@]1(CCCN(C1=O)CC2=CC(=CC=C2)OC)O)C3CCCCC3

InChI

InChI=1S/C21H32N2O3/c1-22(18-9-4-3-5-10-18)16-21(25)12-7-13-23(20(21)24)15-17-8-6-11-19(14-17)26-2/h6,8,11,14,18,25H,3-5,7,9-10,12-13,15-16H2,1-2H3/p+1/t21-/m0/s1