N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1-ethyl-4-pyrazolyl)methyl]-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]acetamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)C

Isomeric SMILES

CCN1C=C(C=N1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)C

InChI

InChI=1S/C21H29N5O3/c1-4-26-14-17(12-24-26)11-23-20(27)10-18-21(28)22-7-8-25(18)13-16-5-6-19(29-3)15(2)9-16/h5-6,9,12,14,18H,4,7-8,10-11,13H2,1-3H3,(H,22,28)(H,23,27)/p+1/t18-/m1/s1