cycloheptyl-[[(3R)-1-[(3-methoxyphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCCC(C2=O)(C[NH2+]C3CCCCCC3)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC[C@](C2=O)(C[NH2+]C3CCCCCC3)O

InChI

InChI=1S/C21H32N2O3/c1-26-19-11-6-8-17(14-19)15-23-13-7-12-21(25,20(23)24)16-22-18-9-4-2-3-5-10-18/h6,8,11,14,18,22,25H,2-5,7,9-10,12-13,15-16H2,1H3/p+1/t21-/m1/s1