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

Systemtic Name: 2-[(2S)-1-phenethyl-4-(1-phenylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-phenethyl-4-(1-phenyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-phenethyl-4-(1-phenyl-4-piperidinyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-phenethyl-4-(1-phenylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-phenethyl-4-(1-phenyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol Formula: C25H36N3O+ MolecularWeight: 394.57284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCN(C(C2)CCO)CCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH+]2CCN([C@H](C2)CCO)CCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H35N3O/c29-20-14-25-21-28(19-18-27(25)15-11-22-7-3-1-4-8-22)24-12-16-26(17-13-24)23-9-5-2-6-10-23/h1-10,24-25,29H,11-21H2/p+1/t25-/m0/s1