2-[1,3-bis(phenylmethyl)imidazolidin-2-yl]-5-(diethylazaniumyl)phenolate

Systemtic Name: 2-[1,3-bis(phenylmethyl)imidazolidin-2-yl]-5-(diethylazaniumyl)phenolate Openeye Name: 2-(1,3-dibenzylimidazolidin-2-yl)-5-(diethylammonio)phenolate CAS Name: 2-[1,3-bis(phenylmethyl)-2-imidazolidinyl]-5-(diethylammonio)phenolate IUPAC Name: 2-(1,3-dibenzylimidazolidin-2-yl)-5-(diethylazaniumyl)phenolate Traditional Name: 2-(1,3-dibenzylimidazolidin-2-yl)-5-(diethylammonio)phenolate Formula: C27H33N3O MolecularWeight: 415.57042

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1=CC(=C(C=C1)C2N(CCN2CC3=CC=CC=C3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CC[NH+](CC)C1=CC(=C(C=C1)C2N(CCN2CC3=CC=CC=C3)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C27H33N3O/c1-3-28(4-2)24-15-16-25(26(31)19-24)27-29(20-22-11-7-5-8-12-22)17-18-30(27)21-23-13-9-6-10-14-23/h5-16,19,27,31H,3-4,17-18,20-21H2,1-2H3