3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C22H31N5O2+2 MolecularWeight: 397.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4O

InChI

InChI=1S/C22H29N5O2/c28-20-6-2-1-5-19(20)25-13-11-24(12-14-25)10-8-22(29)27-17-15-26(16-18-27)21-7-3-4-9-23-21/h1-7,9,28H,8,10-18H2/p+2