(3R,4R)-1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(3-chlorobenzothiophen-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(3-chlorobenzothiophen-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazino)piperidin-1-ium-3-ol Formula: C23H29ClN4OS+2 MolecularWeight: 445.02056

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1N2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1N2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C23H27ClN4OS/c24-23-17-5-1-2-6-20(17)30-21(23)16-26-10-8-18(19(29)15-26)27-11-13-28(14-12-27)22-7-3-4-9-25-22/h1-7,9,18-19,29H,8,10-16H2/p+2/t18-,19-/m1/s1