3-[(3R)-1-(2-hydroxyethyl)piperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-[(3R)-1-(2-hydroxyethyl)piperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-hydroxyethyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 3-[(3R)-1-(2-hydroxyethyl)-3-piperidin-1-iumyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-hydroxyethyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-hydroxyethyl)piperidin-1-ium-3-yl]propan-1-one Formula: C21H35N3O2+2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCO)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCO)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H33N3O2/c25-16-15-22-10-4-7-20(18-22)8-9-21(26)24-13-11-23(12-14-24)17-19-5-2-1-3-6-19/h1-3,5-6,20,25H,4,7-18H2/p+2/t20-/m1/s1