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

Systemtic Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(1-ethylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(1-ethyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(1-ethylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-(2-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-[(1-ethylpyrazol-4-yl)methyl]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=CC=C3OCC

Isomeric SMILES

CCN1C=C(C=N1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3OCC

InChI

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