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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CN(N=N1)C2CCN(CC2)C(=O)C3=CC(=CC=C3)N4CCOCC4)[NH3+]

Isomeric SMILES

CC(C)(C1=CN(N=N1)C2CCN(CC2)C(=O)C3=CC(=CC=C3)N4CCOCC4)[NH3+]

InChI

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