[(2S,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(2S,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [(2S,4R)-4-hydroxy-2-pyrrolidin-1-iumyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C14H22N4O2+2 MolecularWeight: 278.35008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3CC(C[NH2+]3)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)[C@@H]3C[C@H](C[NH2+]3)O

InChI

InChI=1S/C14H20N4O2/c19-11-9-12(16-10-11)14(20)18-7-5-17(6-8-18)13-3-1-2-4-15-13/h1-4,11-12,16,19H,5-10H2/p+2/t11-,12+/m1/s1