[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(5-methoxy-1H-indol-2-yl)methanone

Systemtic Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(5-methoxy-1H-indol-2-yl)methanone Openeye Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(5-methoxy-1H-indol-2-yl)methanone CAS Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(5-methoxy-1H-indol-2-yl)methanone IUPAC Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(5-methoxy-1H-indol-2-yl)methanone Traditional Name: [4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-yl]-(5-methoxy-1H-indol-2-yl)methanone Formula: C22H25FN3O2+ MolecularWeight: 382.451203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCC[NH+](CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCC[NH+](CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN3O2/c1-28-19-7-8-20-17(13-19)14-21(24-20)22(27)26-10-2-9-25(11-12-26)15-16-3-5-18(23)6-4-16/h3-8,13-14,24H,2,9-12,15H2,1H3/p+1