[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(4-nitrophenyl)methyl]-prop-2-enyl-azanium

Systemtic Name: [1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(4-nitrophenyl)methyl]-prop-2-enyl-azanium Openeye Name: allyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-[(4-nitrophenyl)methyl]ammonium CAS Name: [1-[(4-fluorophenyl)methyl]-2-pyrrolyl]methyl-[(4-nitrophenyl)methyl]-prop-2-enylammonium IUPAC Name: [1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(4-nitrophenyl)methyl]-prop-2-enylazanium Traditional Name: allyl-[[1-(4-fluorobenzyl)pyrrol-2-yl]methyl]-(4-nitrobenzyl)ammonium Formula: C22H23FN3O2+ MolecularWeight: 380.435323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC2=CC=CN2CC3=CC=C(C=C3)F

Isomeric SMILES

C=CC[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC2=CC=CN2CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O2/c1-2-13-24(15-18-7-11-21(12-8-18)26(27)28)17-22-4-3-14-25(22)16-19-5-9-20(23)10-6-19/h2-12,14H,1,13,15-17H2/p+1