1-(1,3-benzothiazol-2-yl)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-1-(2-fluorobenzyl)piperidin-1-ium-3-carboxamide Formula: C20H21FN3OS+ MolecularWeight: 370.463643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[N+](C1)(CC2=CC=CC=C2F)C3=NC4=CC=CC=C4S3)C(=O)N

Isomeric SMILES

C1CC(C[N+](C1)(CC2=CC=CC=C2F)C3=NC4=CC=CC=C4S3)C(=O)N

InChI

InChI=1S/C20H20FN3OS/c21-16-8-2-1-6-14(16)12-24(11-5-7-15(13-24)19(22)25)20-23-17-9-3-4-10-18(17)26-20/h1-4,6,8-10,15H,5,7,11-13H2,(H-,22,25)/p+1