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

Systemtic Name: 3-[2,3-bis(oxidanylidene)-4-(4-propan-2-yloxyphenyl)carbonyl-5-pyridin-1-ium-4-yl-pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-(4-isopropoxybenzoyl)-2,3-dioxo-5-pyridin-1-ium-4-yl-pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2,3-dioxo-4-[oxo-(4-propan-2-yloxyphenyl)methyl]-5-(4-pyridin-1-iumyl)-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[2,3-dioxo-4-(4-propan-2-yloxybenzoyl)-5-pyridin-1-ium-4-ylpyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[4-(4-isopropoxybenzoyl)-2,3-diketo-5-pyridin-1-ium-4-yl-pyrrolidino]propyl-dimethyl-ammonium Formula: C24H31N3O4+2 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CCC[NH+](C)C)C3=CC=[NH+]C=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CCC[NH+](C)C)C3=CC=[NH+]C=C3

InChI

InChI=1S/C24H29N3O4/c1-16(2)31-19-8-6-18(7-9-19)22(28)20-21(17-10-12-25-13-11-17)27(24(30)23(20)29)15-5-14-26(3)4/h6-13,16,20-21H,5,14-15H2,1-4H3/p+2