(3S)-1-(cyclopropylmethyl)-3-oxidanyl-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]piperidin-2-one

Systemtic Name: (3S)-1-(cyclopropylmethyl)-3-oxidanyl-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]piperidin-2-one Openeye Name: (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]piperidin-2-one CAS Name: (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(1-pyrazolylmethyl)-1-piperidin-1-iumyl]methyl]-2-piperidinone IUPAC Name: (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]piperidin-2-one Traditional Name: (3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-2-piperidone Formula: C19H31N4O2+ MolecularWeight: 347.47504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CC2CC2)(C[NH+]3CCC(CC3)CN4C=CC=N4)O

Isomeric SMILES

C1C[C@@](C(=O)N(C1)CC2CC2)(C[NH+]3CCC(CC3)CN4C=CC=N4)O

InChI

InChI=1S/C19H30N4O2/c24-18-19(25,7-1-9-22(18)13-16-3-4-16)15-21-11-5-17(6-12-21)14-23-10-2-8-20-23/h2,8,10,16-17,25H,1,3-7,9,11-15H2/p+1/t19-/m0/s1