2-[(2S)-4-[(2,5-dimethoxyphenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2,5-dimethoxyphenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2,5-dimethoxyphenyl)methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2,5-dimethoxyphenyl)methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2,5-dimethoxyphenyl)methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2,5-dimethoxybenzyl)-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C18H31N2O3+ MolecularWeight: 323.45034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O3/c1-14(2)20-9-8-19(13-16(20)7-10-21)12-15-11-17(22-3)5-6-18(15)23-4/h5-6,11,14,16,21H,7-10,12-13H2,1-4H3/p+1/t16-/m0/s1