1-benzothiophen-5-ylmethyl-[[(3S)-1-(cyclobutylmethyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium

Systemtic Name: 1-benzothiophen-5-ylmethyl-[[(3S)-1-(cyclobutylmethyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium Openeye Name: benzothiophen-5-ylmethyl-[[(3S)-1-(cyclobutylmethyl)-3-hydroxy-2-oxo-3-piperidyl]methyl]ammonium CAS Name: 1-benzothiophen-5-ylmethyl-[[(3S)-1-(cyclobutylmethyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl]ammonium IUPAC Name: 1-benzothiophen-5-ylmethyl-[[(3S)-1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: benzothiophen-5-ylmethyl-[[(3S)-1-(cyclobutylmethyl)-3-hydroxy-2-keto-3-piperidyl]methyl]ammonium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CN2CCCC(C2=O)(C[NH2+]CC3=CC4=C(C=C3)SC=C4)O

Isomeric SMILES

C1CC(C1)CN2CCC[C@@](C2=O)(C[NH2+]CC3=CC4=C(C=C3)SC=C4)O

InChI

InChI=1S/C20H26N2O2S/c23-19-20(24,8-2-9-22(19)13-15-3-1-4-15)14-21-12-16-5-6-18-17(11-16)7-10-25-18/h5-7,10-11,15,21,24H,1-4,8-9,12-14H2/p+1/t20-/m0/s1