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

Systemtic Name: 2-adamantyl-[[(3S)-1-[(3-methoxyphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium Openeye Name: 2-adamantyl-[[(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxo-3-piperidyl]methyl]ammonium CAS Name: 2-adamantyl-[[(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxo-3-piperidinyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: 2-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+]C3C4CC5CC(C4)CC3C5)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC[C@@](C2=O)(C[NH2+]C3C4CC5CC(C4)CC3C5)O

InChI

InChI=1S/C24H34N2O3/c1-29-21-5-2-4-16(13-21)14-26-7-3-6-24(28,23(26)27)15-25-22-19-9-17-8-18(11-19)12-20(22)10-17/h2,4-5,13,17-20,22,25,28H,3,6-12,14-15H2,1H3/p+1/t17?,18?,19?,20?,22?,24-/m0/s1