N'-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]-N-[(4-methoxyphenyl)methyl]ethanediamide

Systemtic Name: N'-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]-N-[(4-methoxyphenyl)methyl]ethanediamide Openeye Name: N'-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]-N-[(4-methoxyphenyl)methyl]oxamide CAS Name: N'-[(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)ethyl]-N-[(4-methoxyphenyl)methyl]oxamide IUPAC Name: N'-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide Traditional Name: N'-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]-N-p-anisyl-oxamide Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(CNC(=O)C(=O)NCC2=CC=C(C=C2)OC)C3=CN=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](CNC(=O)C(=O)NCC2=CC=C(C=C2)OC)C3=CN=CC=C3

InChI

InChI=1S/C23H31N5O3/c1-3-27-11-13-28(14-12-27)21(19-5-4-10-24-16-19)17-26-23(30)22(29)25-15-18-6-8-20(31-2)9-7-18/h4-10,16,21H,3,11-15,17H2,1-2H3,(H,25,29)(H,26,30)/p+1/t21-/m1/s1