2-[1-[2-(4-methylphenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[2-(4-methylphenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[2-(4-methylphenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[2-(4-methylphenoxy)ethyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[2-(4-methylphenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[2-(4-methylphenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C21H25N2OS+ MolecularWeight: 353.501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)OCC[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N2OS/c1-16-6-8-18(9-7-16)24-15-14-23-12-10-17(11-13-23)21-22-19-4-2-3-5-20(19)25-21/h2-9,17H,10-15H2,1H3/p+1