(4S)-1-(4-methylphenyl)-4-(phenylmethyl)-3-(3-phenylprop-2-ynyl)imidazolidin-3-ium

Systemtic Name: (4S)-1-(4-methylphenyl)-4-(phenylmethyl)-3-(3-phenylprop-2-ynyl)imidazolidin-3-ium Openeye Name: (4S)-4-benzyl-3-(3-phenylprop-2-ynyl)-1-(p-tolyl)imidazolidin-3-ium CAS Name: (4S)-1-(4-methylphenyl)-4-(phenylmethyl)-3-(3-phenylprop-2-ynyl)imidazolidin-3-ium IUPAC Name: (4S)-4-benzyl-1-(4-methylphenyl)-3-(3-phenylprop-2-ynyl)imidazolidin-3-ium Traditional Name: (4S)-4-benzyl-3-(3-phenylprop-2-ynyl)-1-(p-tolyl)imidazolidin-3-ium Formula: C26H27N2+ MolecularWeight: 367.50598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC([NH+](C2)CC#CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@@H]([NH+](C2)CC#CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H26N2/c1-22-14-16-25(17-15-22)28-20-26(19-24-11-6-3-7-12-24)27(21-28)18-8-13-23-9-4-2-5-10-23/h2-7,9-12,14-17,26H,18-21H2,1H3/p+1/t26-/m0/s1