(2S,5S)-1-(benzotriazol-1-ylmethyl)-3-(4-methylphenyl)-2-phenyl-5-(phenylmethyl)imidazolidin-1-ium-4-one

Systemtic Name: (2S,5S)-1-(benzotriazol-1-ylmethyl)-3-(4-methylphenyl)-2-phenyl-5-(phenylmethyl)imidazolidin-1-ium-4-one Openeye Name: (2S,5S)-1-(benzotriazol-1-ylmethyl)-5-benzyl-2-phenyl-3-(p-tolyl)imidazolidin-1-ium-4-one CAS Name: (2S,5S)-1-(1-benzotriazolylmethyl)-3-(4-methylphenyl)-2-phenyl-5-(phenylmethyl)-4-imidazolidin-1-iumone IUPAC Name: (2S,5S)-1-(benzotriazol-1-ylmethyl)-5-benzyl-3-(4-methylphenyl)-2-phenylimidazolidin-1-ium-4-one Traditional Name: (2S,5S)-1-(benzotriazol-1-ylmethyl)-5-benzyl-2-phenyl-3-(p-tolyl)imidazolidin-1-ium-4-one Formula: C30H28N5O+ MolecularWeight: 474.57622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C([NH+](C(C2=O)CC3=CC=CC=C3)CN4C5=CC=CC=C5N=N4)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@@H]([NH+]([C@H](C2=O)CC3=CC=CC=C3)CN4C5=CC=CC=C5N=N4)C6=CC=CC=C6

InChI

InChI=1S/C30H27N5O/c1-22-16-18-25(19-17-22)35-29(24-12-6-3-7-13-24)33(21-34-27-15-9-8-14-26(27)31-32-34)28(30(35)36)20-23-10-4-2-5-11-23/h2-19,28-29H,20-21H2,1H3/p+1/t28-,29+/m0/s1