(2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-morpholin-4-ylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-morpholin-4-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[4-[4-morpholinyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]propionamide Formula: C23H33N6O4+ MolecularWeight: 457.54592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)[NH+]3CCN(CC3)C(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)[NH+]3CCN(CC3)C(=O)N4CCOCC4

InChI

InChI=1S/C23H32N6O4/c1-17-20(22(31)29(25(17)3)19-7-5-4-6-8-19)24-21(30)18(2)26-9-11-27(12-10-26)23(32)28-13-15-33-16-14-28/h4-8,18H,9-16H2,1-3H3,(H,24,30)/p+1/t18-/m0/s1