1-(azocan-1-yl)-3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propan-1-one

Systemtic Name: 1-(azocan-1-yl)-3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-(azocan-1-yl)-3-[(3S,4R)-1-isobutyl-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propan-1-one CAS Name: 1-(1-azocanyl)-3-[(3S,4R)-1-(2-methylpropyl)-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(azocan-1-yl)-3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(azocan-1-yl)-3-[(3S,4R)-1-isobutyl-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propan-1-one Formula: C23H45N3O2+2 MolecularWeight: 395.6223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(C(C1)CCC(=O)N2CCCCCCC2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)C[NH+]1CC[C@H]([C@H](C1)CCC(=O)N2CCCCCCC2)[NH+]3CCOCC3

InChI

InChI=1S/C23H43N3O2/c1-20(2)18-24-13-10-22(25-14-16-28-17-15-25)21(19-24)8-9-23(27)26-11-6-4-3-5-7-12-26/h20-22H,3-19H2,1-2H3/p+2/t21-,22+/m0/s1