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

Systemtic Name: 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]-1-(4-phenylpiperazino)propan-1-one Formula: C28H41N5O2+2 MolecularWeight: 479.65744

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH+]2CCOCC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=NC=C5

Isomeric SMILES

C1C[NH+](C[C@@H]([C@@H]1[NH+]2CCOCC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=NC=C5

InChI

InChI=1S/C28H39N5O2/c34-28(33-16-14-31(15-17-33)26-4-2-1-3-5-26)7-6-25-23-30(22-24-8-11-29-12-9-24)13-10-27(25)32-18-20-35-21-19-32/h1-5,8-9,11-12,25,27H,6-7,10,13-23H2/p+2/t25-,27+/m0/s1