2-[1-[1-(2-morpholin-4-ylphenyl)carbonylpiperidin-4-yl]-1,2,3-triazol-4-yl]propan-2-ylazanium

Systemtic Name: 2-[1-[1-(2-morpholin-4-ylphenyl)carbonylpiperidin-4-yl]-1,2,3-triazol-4-yl]propan-2-ylazanium Openeye Name: [1-methyl-1-[1-[1-(2-morpholinobenzoyl)-4-piperidyl]triazol-4-yl]ethyl]ammonium CAS Name: 2-[1-[1-[[2-(4-morpholinyl)phenyl]-oxomethyl]-4-piperidinyl]-4-triazolyl]propan-2-ylammonium IUPAC Name: 2-[1-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]triazol-4-yl]propan-2-ylazanium Traditional Name: [1-methyl-1-[1-[1-(2-morpholinobenzoyl)-4-piperidyl]triazol-4-yl]ethyl]ammonium Formula: C21H31N6O2+ MolecularWeight: 399.50984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CN(N=N1)C2CCN(CC2)C(=O)C3=CC=CC=C3N4CCOCC4)[NH3+]

Isomeric SMILES

CC(C)(C1=CN(N=N1)C2CCN(CC2)C(=O)C3=CC=CC=C3N4CCOCC4)[NH3+]

InChI

InChI=1S/C21H30N6O2/c1-21(2,22)19-15-27(24-23-19)16-7-9-26(10-8-16)20(28)17-5-3-4-6-18(17)25-11-13-29-14-12-25/h3-6,15-16H,7-14,22H2,1-2H3/p+1