2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole IUPAC Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Formula: C19H21FN3S+ MolecularWeight: 342.453543

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC3=CC=CC=C3S2)CC4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC3=CC=CC=C3S2)CC4=CC=C(C=C4)F

InChI

InChI=1S/C19H20FN3S/c20-16-8-6-15(7-9-16)14-22-10-3-11-23(13-12-22)19-21-17-4-1-2-5-18(17)24-19/h1-2,4-9H,3,10-14H2/p+1