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

Systemtic Name: 2-[(2S)-4-(1-phenylpiperidin-4-yl)-1-propan-2-yl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopropyl-4-(1-phenyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1-phenyl-4-piperidinyl)-1-propan-2-yl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1-phenylpiperidin-4-yl)-1-propan-2-ylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isopropyl-4-(1-phenyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol Formula: C20H34N3O+ MolecularWeight: 332.50346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O/c1-17(2)23-14-13-22(16-20(23)10-15-24)19-8-11-21(12-9-19)18-6-4-3-5-7-18/h3-7,17,19-20,24H,8-16H2,1-2H3/p+1/t20-/m0/s1