(5-chloranylthiophen-2-yl)methyl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Traditional Name: (5-chloro-2-thienyl)methyl-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]ammonium Formula: C16H22ClN3OS+2 MolecularWeight: 339.88338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC=C(S3)Cl)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC=C(S3)Cl)O

InChI

InChI=1S/C16H20ClN3OS/c17-15-6-5-14(22-15)10-18-9-12-3-1-7-19-16(12)20-8-2-4-13(21)11-20/h1,3,5-7,13,18,21H,2,4,8-11H2/p+2/t13-/m0/s1