2-[4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]piperazin-4-ium-1-yl]ethanol Formula: C17H29N2O3+ MolecularWeight: 309.42376

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)CCO

Isomeric SMILES

C[C@@H](CC1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)CCO

InChI

InChI=1S/C17H28N2O3/c1-14(19-8-6-18(7-9-19)10-11-20)12-15-4-5-16(21-2)17(13-15)22-3/h4-5,13-14,20H,6-12H2,1-3H3/p+1/t14-/m0/s1