1-(4-methylpiperazin-4-ium-1-yl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(naphthalen-1-ylmethyl)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-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(1-naphthylmethyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-(1-naphthalenylmethyl)-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(1-naphthylmethyl)piperidin-1-ium-3-yl]propan-1-one Formula: C28H43N4O2+3 MolecularWeight: 467.66662

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2C[NH+](CCC2[NH+]3CCOCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2C[NH+](CC[C@H]2[NH+]3CCOCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H40N4O2/c1-29-13-15-32(16-14-29)28(33)10-9-25-22-30(12-11-27(25)31-17-19-34-20-18-31)21-24-7-4-6-23-5-2-3-8-26(23)24/h2-8,25,27H,9-22H2,1H3/p+3/t25-,27+/m0/s1