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

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-4-(3-methoxyphenyl)carbonyl-5-pyridin-1-ium-4-yl-pyrrolidine-2,3-dione Openeye Name: 1-(3-imidazol-1-ylpropyl)-4-(3-methoxybenzoyl)-5-pyridin-1-ium-4-yl-pyrrolidine-2,3-dione CAS Name: 1-[3-(1-imidazolyl)propyl]-4-[(3-methoxyphenyl)-oxomethyl]-5-(4-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 1-(3-imidazol-1-ylpropyl)-4-(3-methoxybenzoyl)-5-pyridin-1-ium-4-ylpyrrolidine-2,3-dione Traditional Name: 1-(3-imidazol-1-ylpropyl)-4-m-anisoyl-5-pyridin-1-ium-4-yl-pyrrolidine-2,3-quinone Formula: C23H23N4O4+ MolecularWeight: 419.45312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=[NH+]C=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C23H22N4O4/c1-31-18-5-2-4-17(14-18)21(28)19-20(16-6-8-24-9-7-16)27(23(30)22(19)29)12-3-11-26-13-10-25-15-26/h2,4-10,13-15,19-20H,3,11-12H2,1H3/p+1