2-[1-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[(3-fluoro-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(3-fluoro-4-methoxy-benzyl)piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C20H22FN2OS+ MolecularWeight: 357.464883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C20H21FN2OS/c1-24-18-7-6-14(12-16(18)21)13-23-10-8-15(9-11-23)20-22-17-4-2-3-5-19(17)25-20/h2-7,12,15H,8-11,13H2,1H3/p+1