1-(4-methylpiperazin-4-ium-1-yl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(phenylmethyl)piperidin-1-ium-3-yl]propan-1-one

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(phenylmethyl)piperidin-1-ium-3-yl]propan-1-one Openeye Name: 3-[(3S,4R)-1-benzyl-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-(phenylmethyl)-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 3-[(3S,4R)-1-benzyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(3S,4R)-1-benzyl-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C24H41N4O2+3 MolecularWeight: 417.60794

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2C[NH+](CCC2[NH+]3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2C[NH+](CC[C@H]2[NH+]3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H38N4O2/c1-25-11-13-28(14-12-25)24(29)8-7-22-20-26(19-21-5-3-2-4-6-21)10-9-23(22)27-15-17-30-18-16-27/h2-6,22-23H,7-20H2,1H3/p+3/t22-,23+/m0/s1