1-[4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxy-propyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-1-piperazin-4-iumyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazin-4-ium-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[(2R)-2-hydroxy-3-veratryloxy-propyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Formula: C20H33N2O5+ MolecularWeight: 381.48642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CC(COCC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)C[C@H](COCC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C20H32N2O5/c1-15(2)20(24)22-9-7-21(8-10-22)12-17(23)14-27-13-16-5-6-18(25-3)19(11-16)26-4/h5-6,11,15,17,23H,7-10,12-14H2,1-4H3/p+1/t17-/m1/s1