2-[[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-[[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-[[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]thiazole CAS Name: 2-[[(3S)-3-[2-(3-methoxyphenyl)ethyl]-1-piperidin-1-iumyl]methyl]thiazole IUPAC Name: 2-[[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-[[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]thiazole Formula: C18H25N2OS+ MolecularWeight: 317.4689

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC2CCC[NH+](C2)CC3=NC=CS3

Isomeric SMILES

COC1=CC=CC(=C1)CC[C@H]2CCC[NH+](C2)CC3=NC=CS3

InChI

InChI=1S/C18H24N2OS/c1-21-17-6-2-4-15(12-17)7-8-16-5-3-10-20(13-16)14-18-19-9-11-22-18/h2,4,6,9,11-12,16H,3,5,7-8,10,13-14H2,1H3/p+1/t16-/m1/s1