3-[2,3-bis(oxidanylidene)-4-(phenylcarbonyl)-5-pyridin-1-ium-2-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2,3-bis(oxidanylidene)-4-(phenylcarbonyl)-5-pyridin-1-ium-2-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-(4-benzoyl-2,3-dioxo-5-pyridin-1-ium-2-yl-pyrrolidin-1-yl)propyl-dimethyl-ammonium CAS Name: 3-[4-benzoyl-2,3-dioxo-5-(2-pyridin-1-iumyl)-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-(4-benzoyl-2,3-dioxo-5-pyridin-1-ium-2-ylpyrrolidin-1-yl)propyl-dimethylazanium Traditional Name: 3-(4-benzoyl-2,3-diketo-5-pyridin-1-ium-2-yl-pyrrolidino)propyl-dimethyl-ammonium Formula: C21H25N3O3+2 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(C(=O)C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[NH+](C)CCCN1C(C(C(=O)C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H23N3O3/c1-23(2)13-8-14-24-18(16-11-6-7-12-22-16)17(20(26)21(24)27)19(25)15-9-4-3-5-10-15/h3-7,9-12,17-18H,8,13-14H2,1-2H3/p+2