3-methyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]butan-1-one CAS Name: 3-methyl-1-[(2S)-2-(1-piperazin-4-iumylmethyl)-1-pyrrolidinyl]-1-butanone IUPAC Name: 3-methyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidino]butan-1-one Formula: C14H28N3O+ MolecularWeight: 254.39162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCC1CN2CC[NH2+]CC2

Isomeric SMILES

CC(C)CC(=O)N1CCC[C@H]1CN2CC[NH2+]CC2

InChI

InChI=1S/C14H27N3O/c1-12(2)10-14(18)17-7-3-4-13(17)11-16-8-5-15-6-9-16/h12-13,15H,3-11H2,1-2H3/p+1/t13-/m0/s1