3-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-piperidin-1-iumyl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-(benzofurazan-4-ylmethyl)piperidin-1-ium-4-yl]-1-(4-phenylpiperazino)propan-1-one Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC5=NON=C54

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC5=NON=C54

InChI

InChI=1S/C25H31N5O2/c31-24(30-17-15-29(16-18-30)22-6-2-1-3-7-22)10-9-20-11-13-28(14-12-20)19-21-5-4-8-23-25(21)27-32-26-23/h1-8,20H,9-19H2/p+1