3-methyl-1-[(3S)-3-piperazin-4-ium-1-ylcarbonylpiperidin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[(3S)-3-piperazin-4-ium-1-ylcarbonylpiperidin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[(3S)-3-(piperazin-4-ium-1-carbonyl)-1-piperidyl]butan-1-one CAS Name: 3-methyl-1-[(3S)-3-[oxo(1-piperazin-4-iumyl)methyl]-1-piperidinyl]-1-butanone IUPAC Name: 3-methyl-1-[(3S)-3-(piperazin-4-ium-1-carbonyl)piperidin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[(3S)-3-(piperazin-4-ium-1-carbonyl)piperidino]butan-1-one Formula: C15H28N3O2+ MolecularWeight: 282.40172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCC(C1)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC(C)CC(=O)N1CCC[C@@H](C1)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C15H27N3O2/c1-12(2)10-14(19)18-7-3-4-13(11-18)15(20)17-8-5-16-6-9-17/h12-13,16H,3-11H2,1-2H3/p+1/t13-/m0/s1