1-[[(5S)-3-(4-methylphenyl)-5-(phenylmethyl)imidazolidin-1-ium-1-yl]methyl]benzotriazole

Systemtic Name: 1-[[(5S)-3-(4-methylphenyl)-5-(phenylmethyl)imidazolidin-1-ium-1-yl]methyl]benzotriazole Openeye Name: 1-[[(5S)-5-benzyl-3-(p-tolyl)imidazolidin-1-ium-1-yl]methyl]benzotriazole CAS Name: 1-[[(5S)-3-(4-methylphenyl)-5-(phenylmethyl)-1-imidazolidin-1-iumyl]methyl]benzotriazole IUPAC Name: 1-[[(5S)-5-benzyl-3-(4-methylphenyl)imidazolidin-1-ium-1-yl]methyl]benzotriazole Traditional Name: 1-[[(5S)-5-benzyl-3-(p-tolyl)imidazolidin-1-ium-1-yl]methyl]benzotriazole Formula: C24H26N5+ MolecularWeight: 384.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC([NH+](C2)CN3C4=CC=CC=C4N=N3)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@@H]([NH+](C2)CN3C4=CC=CC=C4N=N3)CC5=CC=CC=C5

InChI

InChI=1S/C24H25N5/c1-19-11-13-21(14-12-19)27-16-22(15-20-7-3-2-4-8-20)28(17-27)18-29-24-10-6-5-9-23(24)25-26-29/h2-14,22H,15-18H2,1H3/p+1/t22-/m0/s1