1-[[(5S)-3-cyclohexyl-5-(phenylmethyl)imidazolidin-3-ium-1-yl]methyl]benzotriazole

Systemtic Name: 1-[[(5S)-3-cyclohexyl-5-(phenylmethyl)imidazolidin-3-ium-1-yl]methyl]benzotriazole Openeye Name: 1-[[(5S)-5-benzyl-3-cyclohexyl-imidazolidin-3-ium-1-yl]methyl]benzotriazole CAS Name: 1-[[(5S)-3-cyclohexyl-5-(phenylmethyl)-1-imidazolidin-3-iumyl]methyl]benzotriazole IUPAC Name: 1-[[(5S)-5-benzyl-3-cyclohexylimidazolidin-3-ium-1-yl]methyl]benzotriazole Traditional Name: 1-[[(5S)-5-benzyl-3-cyclohexyl-imidazolidin-3-ium-1-yl]methyl]benzotriazole Formula: C23H30N5+ MolecularWeight: 376.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CC(N(C2)CN3C4=CC=CC=C4N=N3)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)[NH+]2C[C@@H](N(C2)CN3C4=CC=CC=C4N=N3)CC5=CC=CC=C5

InChI

InChI=1S/C23H29N5/c1-3-9-19(10-4-1)15-21-16-26(20-11-5-2-6-12-20)17-27(21)18-28-23-14-8-7-13-22(23)24-25-28/h1,3-4,7-10,13-14,20-21H,2,5-6,11-12,15-18H2/p+1/t21-/m0/s1