(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-(4-methylpiperazine-1,4-diium-1-yl)propanoate

Systemtic Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-(4-methylpiperazine-1,4-diium-1-yl)propanoate Openeye Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-(4-methylpiperazine-1,4-diium-1-yl)propanoate CAS Name: 3-(4-methyl-1-piperazine-1,4-diiumyl)propanoic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-(4-methylpiperazine-1,4-diium-1-yl)propanoate Traditional Name: 3-(4-methylpiperazine-1,4-diium-1-yl)propionic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C16H32N3O2+3 MolecularWeight: 298.44418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCC(=O)OC2CC3CCC(C2)[NH+]3C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCC(=O)OC2CC3CCC(C2)[NH+]3C

InChI

InChI=1S/C16H29N3O2/c1-17-7-9-19(10-8-17)6-5-16(20)21-15-11-13-3-4-14(12-15)18(13)2/h13-15H,3-12H2,1-2H3/p+3