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

Systemtic Name: 1-adamantyl-[[(3S)-1-[(3-methoxyphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium Openeye Name: 1-adamantyl-[[(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxo-3-piperidyl]methyl]ammonium CAS Name: 1-adamantyl-[[(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxo-3-piperidinyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: 1-adamantyl-[[(3S)-3-hydroxy-2-keto-1-m-anisyl-3-piperidyl]methyl]ammonium Formula: C24H35N2O3+ MolecularWeight: 399.5463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCCC(C2=O)(C[NH2+]C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC[C@@](C2=O)(C[NH2+]C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C24H34N2O3/c1-29-21-5-2-4-17(11-21)15-26-7-3-6-24(28,22(26)27)16-25-23-12-18-8-19(13-23)10-20(9-18)14-23/h2,4-5,11,18-20,25,28H,3,6-10,12-16H2,1H3/p+1/t18?,19?,20?,23?,24-/m0/s1