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

Systemtic Name: 2-[(2S)-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1-benzylpiperidin-1-ium-4-yl)-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1-benzylpiperidin-1-ium-4-yl)-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1-benzylpiperidin-1-ium-4-yl)-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C21H37N3O+2 MolecularWeight: 347.53798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H35N3O/c1-18(2)24-14-13-23(17-21(24)10-15-25)20-8-11-22(12-9-20)16-19-6-4-3-5-7-19/h3-7,18,20-21,25H,8-17H2,1-2H3/p+2/t21-/m0/s1