1-[6-oxidanylidene-6-(4-pyridin-1-ium-4-ylpiperazin-1-yl)hexyl]urea

Systemtic Name: 1-[6-oxidanylidene-6-(4-pyridin-1-ium-4-ylpiperazin-1-yl)hexyl]urea Openeye Name: [6-oxo-6-(4-pyridin-1-ium-4-ylpiperazin-1-yl)hexyl]urea CAS Name: [6-oxo-6-[4-(4-pyridin-1-iumyl)-1-piperazinyl]hexyl]urea IUPAC Name: [6-oxo-6-(4-pyridin-1-ium-4-ylpiperazin-1-yl)hexyl]urea Traditional Name: [6-keto-6-(4-pyridin-1-ium-4-ylpiperazino)hexyl]urea Formula: C16H26N5O2+ MolecularWeight: 320.40994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCCCCNC(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCCCCNC(=O)N

InChI

InChI=1S/C16H25N5O2/c17-16(23)19-7-3-1-2-4-15(22)21-12-10-20(11-13-21)14-5-8-18-9-6-14/h5-6,8-9H,1-4,7,10-13H2,(H3,17,19,23)/p+1