(3R,4R)-4-(azepan-1-ium-1-yl)-1-[(5-chloranylthiophen-2-yl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(5-chloranylthiophen-2-yl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(5-chloro-2-thiophenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-3-ol Formula: C16H27ClN2OS+2 MolecularWeight: 330.91638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2O)CC3=CC=C(S3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC=C(S3)Cl

InChI

InChI=1S/C16H25ClN2OS/c17-16-6-5-13(21-16)11-18-10-7-14(15(20)12-18)19-8-3-1-2-4-9-19/h5-6,14-15,20H,1-4,7-12H2/p+2/t14-,15-/m1/s1