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

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(4-ethylphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(4-ethylphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(4-ethylbenzyl)-N-methyl-acetamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=C(C=C3)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)C[C@H]2C(=O)NCC[NH+]2CC3=CC=C(C=C3)OCC

InChI

InChI=1S/C25H33N3O3/c1-4-19-6-8-20(9-7-19)17-27(3)24(29)16-23-25(30)26-14-15-28(23)18-21-10-12-22(13-11-21)31-5-2/h6-13,23H,4-5,14-18H2,1-3H3,(H,26,30)/p+1/t23-/m0/s1