[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone

Systemtic Name: [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Openeye Name: [(2S)-2-(2-pyrazol-1-ylethyl)-1-piperidyl]-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone CAS Name: [(2S)-2-[2-(1-pyrazolyl)ethyl]-1-piperidinyl]-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methanone IUPAC Name: [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Traditional Name: [(2S)-2-(2-pyrazol-1-ylethyl)piperidino]-(6-pyrrolidinopyridin-1-ium-3-yl)methanone Formula: C20H28N5O+ MolecularWeight: 354.46922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCN2C=CC=N2)C(=O)C3=C[NH+]=C(C=C3)N4CCCC4

Isomeric SMILES

C1CCN([C@@H](C1)CCN2C=CC=N2)C(=O)C3=C[NH+]=C(C=C3)N4CCCC4

InChI

InChI=1S/C20H27N5O/c26-20(17-7-8-19(21-16-17)23-11-3-4-12-23)25-14-2-1-6-18(25)9-15-24-13-5-10-22-24/h5,7-8,10,13,16,18H,1-4,6,9,11-12,14-15H2/p+1/t18-/m0/s1