1-(1,3-benzothiazol-2-yl)-1-(3-fluoranyl-4-methyl-phenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-1-(3-fluoranyl-4-methyl-phenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-1-(3-fluoro-4-methyl-phenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-1-(3-fluoro-4-methylphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-1-(3-fluoro-4-methylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-1-(3-fluoro-4-methyl-phenyl)piperidin-1-ium-4-carboxamide Formula: C20H21FN3OS+ MolecularWeight: 370.463643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+]2(CCC(CC2)C(=O)N)C3=NC4=CC=CC=C4S3)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+]2(CCC(CC2)C(=O)N)C3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C20H20FN3OS/c1-13-6-7-15(12-16(13)21)24(10-8-14(9-11-24)19(22)25)20-23-17-4-2-3-5-18(17)26-20/h2-7,12,14H,8-11H2,1H3,(H-,22,25)/p+1