2-(azocan-1-ium-1-yl)-N-[(4R)-4-methyl-2,5-bis(oxidanylidene)-4-phenethyl-imidazolidin-1-yl]ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[(4R)-4-methyl-2,5-bis(oxidanylidene)-4-phenethyl-imidazolidin-1-yl]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-phenethyl-imidazolidin-1-yl]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[(4R)-4-methyl-2,5-dioxo-4-phenethyl-1-imidazolidinyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-phenethylimidazolidin-1-yl]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[(4R)-2,5-diketo-4-methyl-4-phenethyl-imidazolidin-1-yl]acetamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)N1)NC(=O)C[NH+]2CCCCCCC2)CCC3=CC=CC=C3

Isomeric SMILES

C[C@]1(C(=O)N(C(=O)N1)NC(=O)C[NH+]2CCCCCCC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O3/c1-21(13-12-17-10-6-5-7-11-17)19(27)25(20(28)22-21)23-18(26)16-24-14-8-3-2-4-9-15-24/h5-7,10-11H,2-4,8-9,12-16H2,1H3,(H,22,28)(H,23,26)/p+1/t21-/m1/s1