2-[1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]cyclopentyl]ethanoate

Systemtic Name: 2-[1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]cyclopentyl]ethanoate Openeye Name: 2-[1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetate CAS Name: 2-[1-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]cyclopentyl]acetate IUPAC Name: 2-[1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetate Traditional Name: 2-[1-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]cyclopentyl]acetate Formula: C18H25N3O3 MolecularWeight: 331.4094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)CC(=O)[O-]

Isomeric SMILES

C1CCC(C1)(CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)CC(=O)[O-]

InChI

InChI=1S/C18H25N3O3/c22-16(13-18(14-17(23)24)6-2-3-7-18)21-11-9-20(10-12-21)15-5-1-4-8-19-15/h1,4-5,8H,2-3,6-7,9-14H2,(H,23,24)