3-methyl-1-(4-piperidin-1-ium-4-ylpiperazin-1-yl)butan-1-one

Systemtic Name: 3-methyl-1-(4-piperidin-1-ium-4-ylpiperazin-1-yl)butan-1-one Openeye Name: 3-methyl-1-(4-piperidin-1-ium-4-ylpiperazin-1-yl)butan-1-one CAS Name: 3-methyl-1-[4-(4-piperidin-1-iumyl)-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-(4-piperidin-1-ium-4-ylpiperazin-1-yl)butan-1-one Traditional Name: 3-methyl-1-(4-piperidin-1-ium-4-ylpiperazino)butan-1-one Formula: C14H28N3O+ MolecularWeight: 254.39162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2CC[NH2+]CC2

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2CC[NH2+]CC2

InChI

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