2-[(2S)-4-(1-phenethylpiperidin-4-yl)-1-propan-2-yl-piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1-phenethylpiperidin-4-yl)-1-propan-2-yl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopropyl-4-(1-phenethyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1-phenethyl-4-piperidinyl)-1-propan-2-yl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1-phenethylpiperidin-4-yl)-1-propan-2-ylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isopropyl-4-(1-phenethyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol Formula: C22H38N3O+ MolecularWeight: 360.55662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC[NH+](CC1CCO)C2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1CC[NH+](C[C@@H]1CCO)C2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H37N3O/c1-19(2)25-16-15-24(18-22(25)11-17-26)21-9-13-23(14-10-21)12-8-20-6-4-3-5-7-20/h3-7,19,21-22,26H,8-18H2,1-2H3/p+1/t22-/m0/s1