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

Systemtic Name: 3-[(3R)-1-(2-piperidin-1-ium-1-ylethanoyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(2-piperidin-1-ium-1-ylacetyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(2-piperidin-1-ium-1-ylacetyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(2-piperidin-1-ium-1-ylacetyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C24H39N5O2+2 MolecularWeight: 429.59876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H37N5O2/c30-23(28-17-15-27(16-18-28)22-8-2-3-11-25-22)10-9-21-7-6-14-29(19-21)24(31)20-26-12-4-1-5-13-26/h2-3,8,11,21H,1,4-7,9-10,12-20H2/p+2/t21-/m1/s1