(3S)-1-(2,2-dimethylpropyl)-3-oxidanyl-3-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]piperidin-2-one

Systemtic Name: (3S)-1-(2,2-dimethylpropyl)-3-oxidanyl-3-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]piperidin-2-one Openeye Name: (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]piperidin-2-one CAS Name: (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[4-(1-pyrrolidin-1-iumyl)-1-piperidin-1-iumyl]methyl]-2-piperidinone IUPAC Name: (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]piperidin-2-one Traditional Name: (3S)-3-hydroxy-1-neopentyl-3-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]-2-piperidone Formula: C20H39N3O2+2 MolecularWeight: 353.54256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCCC(C1=O)(C[NH+]2CCC(CC2)[NH+]3CCCC3)O

Isomeric SMILES

CC(C)(C)CN1CCC[C@@](C1=O)(C[NH+]2CCC(CC2)[NH+]3CCCC3)O

InChI

InChI=1S/C20H37N3O2/c1-19(2,3)15-23-12-6-9-20(25,18(23)24)16-21-13-7-17(8-14-21)22-10-4-5-11-22/h17,25H,4-16H2,1-3H3/p+2/t20-/m0/s1