[2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]-phenethyl-azanium

Systemtic Name: [2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]-phenethyl-azanium Openeye Name: [2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-phenethyl-ammonium CAS Name: [2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl]-phenethylammonium IUPAC Name: [2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-phenethylazanium Traditional Name: [2,5-diketo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-phenethyl-ammonium Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-2-14-26-18-10-8-17(9-11-18)23-20(24)15-19(21(23)25)22-13-12-16-6-4-3-5-7-16/h3-11,19,22H,2,12-15H2,1H3/p+1