N-(2,3-dimethylphenyl)-2-[4-[(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[(1S)-2-morpholino-2-oxo-1-phenyl-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(1S)-2-(4-morpholinyl)-2-oxo-1-phenylethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[(1S)-2-keto-2-morpholino-1-phenyl-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C26H35N4O3+ MolecularWeight: 451.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)[C@@H](C3=CC=CC=C3)C(=O)N4CCOCC4)C

InChI

InChI=1S/C26H34N4O3/c1-20-7-6-10-23(21(20)2)27-24(31)19-28-11-13-29(14-12-28)25(22-8-4-3-5-9-22)26(32)30-15-17-33-18-16-30/h3-10,25H,11-19H2,1-2H3,(H,27,31)/p+1/t25-/m0/s1