2-[(2S)-4-(2,2-diphenylethyl)-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(2,2-diphenylethyl)-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,2-diphenylethyl)-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,2-diphenylethyl)-1-(3-phenylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,2-diphenylethyl)-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2,2-diphenylethyl)-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C29H37N2O+ MolecularWeight: 429.61688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC(C2=CC=CC=C2)C3=CC=CC=C3)CCO)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC(C2=CC=CC=C2)C3=CC=CC=C3)CCO)CCCC4=CC=CC=C4

InChI

InChI=1S/C29H36N2O/c32-22-18-28-23-30(20-21-31(28)19-10-13-25-11-4-1-5-12-25)24-29(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28-29,32H,10,13,18-24H2/p+1/t28-/m0/s1