1-(3-imidazol-1-ylpropyl)-4-(phenylcarbonyl)-5-pyridin-1-ium-2-yl-pyrrolidine-2,3-dione

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-4-(phenylcarbonyl)-5-pyridin-1-ium-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-benzoyl-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-2-yl-pyrrolidine-2,3-dione CAS Name: 4-benzoyl-1-[3-(1-imidazolyl)propyl]-5-(2-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-benzoyl-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-2-ylpyrrolidine-2,3-dione Traditional Name: 4-benzoyl-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-2-yl-pyrrolidine-2,3-quinone Formula: C22H21N4O3+ MolecularWeight: 389.42714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H20N4O3/c27-20(16-7-2-1-3-8-16)18-19(17-9-4-5-10-24-17)26(22(29)21(18)28)13-6-12-25-14-11-23-15-25/h1-5,7-11,14-15,18-19H,6,12-13H2/p+1