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

Systemtic Name: 2-[1-(4-phenoxybutyl)piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-(4-phenoxybutyl)piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-(4-phenoxybutyl)-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-(4-phenoxybutyl)piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(4-phenoxybutyl)piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C22H27N2OS+ MolecularWeight: 367.52758

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCCCOC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCCCOC4=CC=CC=C4

InChI

InChI=1S/C22H26N2OS/c1-2-8-19(9-3-1)25-17-7-6-14-24-15-12-18(13-16-24)22-23-20-10-4-5-11-21(20)26-22/h1-5,8-11,18H,6-7,12-17H2/p+1