4-[2-(4-fluoranylphenoxy)ethyl]-1-[(1-methylindol-3-yl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[2-(4-fluoranylphenoxy)ethyl]-1-[(1-methylindol-3-yl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[2-(4-fluorophenoxy)ethyl]-1-[(1-methylindol-3-yl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[2-(4-fluorophenoxy)ethyl]-1-[(1-methyl-3-indolyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[2-(4-fluorophenoxy)ethyl]-1-[(1-methylindol-3-yl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-[2-(4-fluorophenoxy)ethyl]-1-[(1-methylindol-3-yl)methyl]-1,4-diazepan-1-ium-5-one Formula: C23H27FN3O2+ MolecularWeight: 396.477783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C[NH+]3CCC(=O)N(CC3)CCOC4=CC=C(C=C4)F

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[NH+]3CCC(=O)N(CC3)CCOC4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O2/c1-25-16-18(21-4-2-3-5-22(21)25)17-26-11-10-23(28)27(13-12-26)14-15-29-20-8-6-19(24)7-9-20/h2-9,16H,10-15,17H2,1H3/p+1