3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-N-[3-(1-pyrrolidin-1-iumyl)propyl]-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-1-keto-2-(2-methoxyethyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C26H33FN3O3+ MolecularWeight: 454.556923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCC[NH+]3CCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCC[NH+]3CCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H32FN3O3/c1-33-18-17-30-24(19-9-11-20(27)12-10-19)23(21-7-2-3-8-22(21)26(30)32)25(31)28-13-6-16-29-14-4-5-15-29/h2-3,7-12,23-24H,4-6,13-18H2,1H3,(H,28,31)/p+1