1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]ethanone Formula: C23H27FN3O2+ MolecularWeight: 396.477783

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC=C(C=C2)F)CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC=C(C=C2)F)CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H26FN3O2/c24-21-8-6-19(7-9-21)23(29)26-12-3-11-25(14-15-26)17-22(28)27-13-10-18-4-1-2-5-20(18)16-27/h1-2,4-9H,3,10-17H2/p+1