1-piperidin-1-yl-2-[4-(2-pyrrolidin-1-ylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-piperidin-1-yl-2-[4-(2-pyrrolidin-1-ylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-piperidyl)-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[oxo-[2-(1-pyrrolidinyl)-3-pyridinyl]methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 1-piperidin-1-yl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-piperidino-2-[4-(2-pyrrolidinonicotinoyl)piperazin-1-ium-1-yl]ethanone Formula: C21H32N5O2+ MolecularWeight: 386.51108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=CC=C3)N4CCCC4

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=CC=C3)N4CCCC4

InChI

InChI=1S/C21H31N5O2/c27-19(24-9-2-1-3-10-24)17-23-13-15-26(16-14-23)21(28)18-7-6-8-22-20(18)25-11-4-5-12-25/h6-8H,1-5,9-17H2/p+1