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

Systemtic Name: 2-[1-(2-pyridin-4-ylethyl)piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[2-(4-pyridyl)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-(2-pyridin-4-ylethyl)-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-(2-pyridin-4-ylethyl)piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[2-(4-pyridyl)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C19H22N3S+ MolecularWeight: 324.46308

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCC4=CC=NC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCC4=CC=NC=C4

InChI

InChI=1S/C19H21N3S/c1-2-4-18-17(3-1)21-19(23-18)16-8-13-22(14-9-16)12-7-15-5-10-20-11-6-15/h1-6,10-11,16H,7-9,12-14H2/p+1