3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-1-thiomorpholin-4-yl-propan-1-one

Systemtic Name: 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-1-thiomorpholin-4-yl-propan-1-one Openeye Name: 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(1-naphthylmethyl)piperidin-1-ium-3-yl]-1-thiomorpholino-propan-1-one CAS Name: 3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-(1-naphthalenylmethyl)-3-piperidin-1-iumyl]-1-thiomorpholin-4-yl-1-propanone IUPAC Name: 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-1-thiomorpholin-4-ylpropan-1-one Traditional Name: 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(1-naphthylmethyl)piperidin-1-ium-3-yl]-1-thiomorpholino-propan-1-one Formula: C27H39N3O2S+2 MolecularWeight: 469.68246

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH+]2CCOCC2)CCC(=O)N3CCSCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](C[C@@H]([C@@H]1[NH+]2CCOCC2)CCC(=O)N3CCSCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H37N3O2S/c31-27(30-14-18-33-19-15-30)9-8-24-21-28(11-10-26(24)29-12-16-32-17-13-29)20-23-6-3-5-22-4-1-2-7-25(22)23/h1-7,24,26H,8-21H2/p+2/t24-,26+/m0/s1