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

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-ethylimidazol-2-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(1-ethylimidazol-2-yl)methyl]acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(1-ethyl-2-imidazolyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(1-ethylimidazol-2-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-[(1-ethylimidazol-2-yl)methyl]acetamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=C(C=C3)OCC

Isomeric SMILES

CCN1C=CN=C1CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=C(C=C3)OCC

InChI

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