[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)-[(4-nitrophenyl)methyl]azanium

Systemtic Name: [1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)-[(4-nitrophenyl)methyl]azanium Openeye Name: [1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)-[(4-nitrophenyl)methyl]ammonium CAS Name: [1-[(4-fluorophenyl)methyl]-2-pyrrolyl]methyl-(3-methoxypropyl)-[(4-nitrophenyl)methyl]ammonium IUPAC Name: [1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)-[(4-nitrophenyl)methyl]azanium Traditional Name: [1-(4-fluorobenzyl)pyrrol-2-yl]methyl-(3-methoxypropyl)-(4-nitrobenzyl)ammonium Formula: C23H27FN3O3+ MolecularWeight: 412.477183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O3/c1-30-15-3-13-25(16-19-7-11-22(12-8-19)27(28)29)18-23-4-2-14-26(23)17-20-5-9-21(24)10-6-20/h2,4-12,14H,3,13,15-18H2,1H3/p+1