2-[3-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-2-oxidanylidene-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)imidazolidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[3-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-2-oxidanylidene-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)imidazolidin-1-ium-1-yl]ethanoate Openeye Name: 2-[3-[4-(3-methoxy-3-oxo-propyl)phenyl]-2-oxo-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)imidazolidin-1-ium-1-yl]acetate CAS Name: 2-[3-[4-(3-methoxy-3-oxopropyl)phenyl]-2-oxo-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1-imidazolidin-1-iumyl]acetate IUPAC Name: 2-[3-[4-(3-methoxy-3-oxopropyl)phenyl]-2-oxo-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)imidazolidin-1-ium-1-yl]acetate Traditional Name: 2-[2-keto-3-[4-(3-keto-3-methoxy-propyl)phenyl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)imidazolidin-1-ium-1-yl]acetate Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2CC[N+](C2=O)(CC(=O)[O-])C3=CC4=C(CNCC4)C=C3

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2CC[N+](C2=O)(CC(=O)[O-])C3=CC4=C(CNCC4)C=C3

InChI

InChI=1S/C24H27N3O5/c1-32-23(30)9-4-17-2-6-20(7-3-17)26-12-13-27(24(26)31,16-22(28)29)21-8-5-19-15-25-11-10-18(19)14-21/h2-3,5-8,14,25H,4,9-13,15-16H2,1H3