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

Systemtic Name: 1-benzothiophen-5-ylmethyl-[[(3S)-1-(cyclopropylmethyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium Openeye Name: benzothiophen-5-ylmethyl-[[(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-oxo-3-piperidyl]methyl]ammonium CAS Name: 1-benzothiophen-5-ylmethyl-[[(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl]ammonium IUPAC Name: 1-benzothiophen-5-ylmethyl-[[(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: benzothiophen-5-ylmethyl-[[(3S)-1-(cyclopropylmethyl)-3-hydroxy-2-keto-3-piperidyl]methyl]ammonium Formula: C19H25N2O2S+ MolecularWeight: 345.479

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CC2CC2)(C[NH2+]CC3=CC4=C(C=C3)SC=C4)O

Isomeric SMILES

C1C[C@@](C(=O)N(C1)CC2CC2)(C[NH2+]CC3=CC4=C(C=C3)SC=C4)O

InChI

InChI=1S/C19H24N2O2S/c22-18-19(23,7-1-8-21(18)12-14-2-3-14)13-20-11-15-4-5-17-16(10-15)6-9-24-17/h4-6,9-10,14,20,23H,1-3,7-8,11-13H2/p+1/t19-/m0/s1