ethyl-(pyridin-4-ylmethyl)-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]azanium

Systemtic Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]azanium Openeye Name: ethyl-(4-pyridylmethyl)-[(3S)-1-(thiazol-2-ylmethyl)-3-piperidyl]ammonium CAS Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-(2-thiazolylmethyl)-3-piperidinyl]ammonium IUPAC Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]azanium Traditional Name: ethyl-(4-pyridylmethyl)-[(3S)-1-(thiazol-2-ylmethyl)-3-piperidyl]ammonium Formula: C17H25N4S+ MolecularWeight: 317.4722

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)CC3=NC=CS3

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)CC3=NC=CS3

InChI

InChI=1S/C17H24N4S/c1-2-21(12-15-5-7-18-8-6-15)16-4-3-10-20(13-16)14-17-19-9-11-22-17/h5-9,11,16H,2-4,10,12-14H2,1H3/p+1/t16-/m0/s1