4-[(4R)-4-methyl-2,5-bis(oxidanylidene)-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[(4R)-4-methyl-2,5-bis(oxidanylidene)-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidin-4-yl]benzenecarbonitrile Openeye Name: 4-[(4R)-4-methyl-2,5-dioxo-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidin-4-yl]benzonitrile CAS Name: 4-[(4R)-4-methyl-2,5-dioxo-1-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-4-imidazolidinyl]benzonitrile IUPAC Name: 4-[(4R)-4-methyl-2,5-dioxo-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidin-4-yl]benzonitrile Traditional Name: 4-[(4R)-2,5-diketo-4-methyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidin-4-yl]benzonitrile Formula: C21H24N6O2+2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H22N6O2/c1-21(17-7-5-16(14-22)6-8-17)19(28)27(20(29)24-21)15-25-10-12-26(13-11-25)18-4-2-3-9-23-18/h2-9H,10-13,15H2,1H3,(H,24,29)/p+2/t21-/m1/s1