[(3S)-1-[1-[(3-chloranylthiophen-2-yl)methyl]piperidin-4-yl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[1-[(3-chloranylthiophen-2-yl)methyl]piperidin-4-yl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[1-[(3-chloro-2-thienyl)methyl]-4-piperidyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[1-[(3-chloro-2-thiophenyl)methyl]-4-piperidinyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[1-[(3-chloro-2-thienyl)methyl]-4-piperidyl]piperidin-1-ium-3-yl]methanol Formula: C16H26ClN2OS+ MolecularWeight: 329.90844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)CC3=C(C=CS3)Cl)CO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)CC3=C(C=CS3)Cl)CO

InChI

InChI=1S/C16H25ClN2OS/c17-15-5-9-21-16(15)11-18-7-3-14(4-8-18)19-6-1-2-13(10-19)12-20/h5,9,13-14,20H,1-4,6-8,10-12H2/p+1/t13-/m0/s1