N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CC=C(C=C4)F

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H32FN3O3/c1-3-29-14-6-7-20(29)17-28-25(31)23-21-8-4-5-9-22(21)26(32)30(15-16-33-2)24(23)18-10-12-19(27)13-11-18/h4-5,8-13,20,23-24H,3,6-7,14-17H2,1-2H3,(H,28,31)/p+1