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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=NC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=NC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N3S/c1-2-6-18-17(5-1)21-19(23-18)16-4-3-12-22(14-16)13-9-15-7-10-20-11-8-15/h1-2,5-8,10-11,16H,3-4,9,12-14H2/p+1/t16-/m0/s1