1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]propan-1-one

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-[(3R)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-[(3R)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-3-[(3R)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]propan-1-one Formula: C23H33N5O+2 MolecularWeight: 395.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H31N5O/c29-23(28-15-13-27(14-16-28)22-7-1-2-11-25-22)9-8-20-6-4-12-26(18-20)19-21-5-3-10-24-17-21/h1-3,5,7,10-11,17,20H,4,6,8-9,12-16,18-19H2/p+2/t20-/m1/s1