2-[(2S)-1-phenethyl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-phenethyl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1-benzylpiperidin-1-ium-4-yl)-1-phenethyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-phenethyl-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1-benzylpiperidin-1-ium-4-yl)-1-phenethylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1-benzylpiperidin-1-ium-4-yl)-1-phenethyl-piperazin-1-ium-2-yl]ethanol Formula: C26H39N3O+2 MolecularWeight: 409.60736

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CC[NH+](C(C2)CCO)CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2CC[NH+]([C@H](C2)CCO)CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H37N3O/c30-20-14-26-22-29(19-18-28(26)17-11-23-7-3-1-4-8-23)25-12-15-27(16-13-25)21-24-9-5-2-6-10-24/h1-10,25-26,30H,11-22H2/p+2/t26-/m0/s1