(1-oxidanidylpyridin-1-ium-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone

Systemtic Name: (1-oxidanidylpyridin-1-ium-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone Openeye Name: (1-oxidopyridin-1-ium-3-yl)-[(3S)-3-(1-pyrimidin-2-yl-4-piperidyl)pyrrolidin-1-yl]methanone CAS Name: (1-oxido-3-pyridin-1-iumyl)-[(3S)-3-[1-(2-pyrimidinyl)-4-piperidinyl]-1-pyrrolidinyl]methanone IUPAC Name: (1-oxidopyridin-1-ium-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone Traditional Name: (1-oxidopyridin-1-ium-3-yl)-[(3S)-3-[1-(2-pyrimidyl)-4-piperidyl]pyrrolidino]methanone Formula: C19H23N5O2 MolecularWeight: 353.41822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(C2)C(=O)C3=C[N+](=CC=C3)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(C[C@@H]1C2CCN(CC2)C3=NC=CC=N3)C(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C19H23N5O2/c25-18(17-3-1-9-24(26)14-17)23-12-6-16(13-23)15-4-10-22(11-5-15)19-20-7-2-8-21-19/h1-3,7-9,14-16H,4-6,10-13H2/t16-/m1/s1