(S)-[1-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]-thiophen-2-yl-methanol

Systemtic Name: (S)-[1-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]-thiophen-2-yl-methanol Openeye Name: (S)-[1-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]-(2-thienyl)methanol CAS Name: (S)-[1-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-4-piperidin-1-iumyl]-thiophen-2-ylmethanol IUPAC Name: (S)-[1-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]-thiophen-2-ylmethanol Traditional Name: (S)-[1-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]-(2-thienyl)methanol Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=C1C)C[NH+]2CCC(CC2)C(C3=CC=CS3)O

Isomeric SMILES

CCC1=NNC(=C1C)C[NH+]2CCC(CC2)[C@@H](C3=CC=CS3)O

InChI

InChI=1S/C17H25N3OS/c1-3-14-12(2)15(19-18-14)11-20-8-6-13(7-9-20)17(21)16-5-4-10-22-16/h4-5,10,13,17,21H,3,6-9,11H2,1-2H3,(H,18,19)/p+1/t17-/m0/s1