(3R)-3-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-4-(phenylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-4-(phenylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-benzyl-3-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]-4-(phenylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-benzyl-3-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-benzyl-3-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]piperazin-4-ium-2-one Formula: C22H29N5O2+2 MolecularWeight: 395.49796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2/c28-21(26-14-12-25(13-15-26)19-6-8-23-9-7-19)16-20-22(29)24-10-11-27(20)17-18-4-2-1-3-5-18/h1-9,20H,10-17H2,(H,24,29)/p+2/t20-/m1/s1