2-[3-[1-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole

Systemtic Name: 2-[3-[1-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole Openeye Name: 2-[3-[1-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]thiazole CAS Name: 2-[3-[1-[[(3S)-1-methyl-3-piperidin-1-iumyl]methyl]-3-pyrazolyl]phenyl]thiazole IUPAC Name: 2-[3-[1-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole Traditional Name: 2-[3-[1-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]thiazole Formula: C19H23N4S+ MolecularWeight: 339.47772

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)CN2C=CC(=N2)C3=CC(=CC=C3)C4=NC=CS4

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)CN2C=CC(=N2)C3=CC(=CC=C3)C4=NC=CS4

InChI

InChI=1S/C19H22N4S/c1-22-9-3-4-15(13-22)14-23-10-7-18(21-23)16-5-2-6-17(12-16)19-20-8-11-24-19/h2,5-8,10-12,15H,3-4,9,13-14H2,1H3/p+1/t15-/m0/s1