2-(5-nitrothiophen-2-yl)-1,3-bis(phenylmethyl)imidazolidine-1,3-diium

Systemtic Name: 2-(5-nitrothiophen-2-yl)-1,3-bis(phenylmethyl)imidazolidine-1,3-diium Openeye Name: 1,3-dibenzyl-2-(5-nitro-2-thienyl)imidazolidine-1,3-diium CAS Name: 2-(5-nitro-2-thiophenyl)-1,3-bis(phenylmethyl)imidazolidine-1,3-diium IUPAC Name: 1,3-dibenzyl-2-(5-nitrothiophen-2-yl)imidazolidine-1,3-diium Traditional Name: 1,3-dibenzyl-2-(5-nitro-2-thienyl)imidazolidine-1,3-diium Formula: C21H23N3O2S+2 MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C([NH+]1CC2=CC=CC=C2)C3=CC=C(S3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C([NH+]1CC2=CC=CC=C2)C3=CC=C(S3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c25-24(26)20-12-11-19(27-20)21-22(15-17-7-3-1-4-8-17)13-14-23(21)16-18-9-5-2-6-10-18/h1-12,21H,13-16H2/p+2