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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[(4R)-4-methyl-2,5-bis(oxidanylidene)-4-phenethyl-imidazolidin-1-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-phenethyl-imidazolidin-1-yl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[(4R)-4-methyl-2,5-dioxo-4-phenethyl-1-imidazolidinyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-phenethylimidazolidin-1-yl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[(4R)-2,5-diketo-4-methyl-4-phenethyl-imidazolidin-1-yl]acetamide Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)N1)NC(=O)C[NH+]2CCCCCC2)CCC3=CC=CC=C3

Isomeric SMILES

C[C@]1(C(=O)N(C(=O)N1)NC(=O)C[NH+]2CCCCCC2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O3/c1-20(12-11-16-9-5-4-6-10-16)18(26)24(19(27)21-20)22-17(25)15-23-13-7-2-3-8-14-23/h4-6,9-10H,2-3,7-8,11-15H2,1H3,(H,21,27)(H,22,25)/p+1/t20-/m1/s1