(2-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)-(thiophen-3-ylmethyl)azanium

Systemtic Name: (2-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)-(thiophen-3-ylmethyl)azanium Openeye Name: (2-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)-(3-thienylmethyl)ammonium CAS Name: (2-fluorophenyl)methyl-[3-(1-imidazolyl)propyl]-(3-thiophenylmethyl)ammonium IUPAC Name: (2-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)-(thiophen-3-ylmethyl)azanium Traditional Name: (2-fluorobenzyl)-(3-imidazol-1-ylpropyl)-(3-thenyl)ammonium Formula: C18H21FN3S+ MolecularWeight: 330.442843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH+](CCCN2C=CN=C2)CC3=CSC=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C[NH+](CCCN2C=CN=C2)CC3=CSC=C3)F

InChI

InChI=1S/C18H20FN3S/c19-18-5-2-1-4-17(18)13-22(12-16-6-11-23-14-16)9-3-8-21-10-7-20-15-21/h1-2,4-7,10-11,14-15H,3,8-9,12-13H2/p+1