2-[(2S)-4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-benzyloxy-3-methoxy-phenyl)methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-benzoxy-3-methoxy-benzyl)-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C24H35N2O3+ MolecularWeight: 399.5463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C24H34N2O3/c1-19(2)26-13-12-25(17-22(26)11-14-27)16-21-9-10-23(24(15-21)28-3)29-18-20-7-5-4-6-8-20/h4-10,15,19,22,27H,11-14,16-18H2,1-3H3/p+1/t22-/m0/s1