cyclobutyl-[[(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium

Systemtic Name: cyclobutyl-[[(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium Openeye Name: cyclobutyl-[[(3S)-3-hydroxy-1-(m-tolylmethyl)-2-oxo-3-piperidyl]methyl]ammonium CAS Name: cyclobutyl-[[(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxo-3-piperidinyl]methyl]ammonium IUPAC Name: cyclobutyl-[[(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: cyclobutyl-[[(3S)-3-hydroxy-2-keto-1-(3-methylbenzyl)-3-piperidyl]methyl]ammonium Formula: C18H27N2O2+ MolecularWeight: 303.41918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(C[NH2+]C3CCC3)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@@](C2=O)(C[NH2+]C3CCC3)O

InChI

InChI=1S/C18H26N2O2/c1-14-5-2-6-15(11-14)12-20-10-4-9-18(22,17(20)21)13-19-16-7-3-8-16/h2,5-6,11,16,19,22H,3-4,7-10,12-13H2,1H3/p+1/t18-/m0/s1