N-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorobenzyl)piperazin-1-ium-1-yl]acetamide Formula: C20H22FN4OS+ MolecularWeight: 385.478283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC3=CC=CC=C3S2)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC3=CC=CC=C3S2)CC4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN4OS/c21-16-7-5-15(6-8-16)13-24-9-11-25(12-10-24)14-19(26)23-20-22-17-3-1-2-4-18(17)27-20/h1-8H,9-14H2,(H,22,23,26)/p+1