1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CC45CC6CC(C4)CC(C6)(C5)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CC45C[C@H]6C[C@@H](C4)CC(C6)(C5)O

InChI

InChI=1S/C24H31N3O2S/c28-22(14-23-10-17-9-18(11-23)13-24(29,12-17)16-23)27-7-5-26(6-8-27)15-21-25-19-3-1-2-4-20(19)30-21/h1-4,17-18,29H,5-16H2/p+1/t17-,18+,23?,24?