ethyl 4-[3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride

Systemtic Name: ethyl 4-[3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-(2-hydroxy-3-veratryloxy-propyl)piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C19H31ClN2O6 MolecularWeight: 418.91224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COCC2=CC(=C(C=C2)OC)OC)O.[Cl-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(COCC2=CC(=C(C=C2)OC)OC)O.[Cl-]

InChI

InChI=1S/C19H30N2O6.ClH/c1-4-27-19(23)21-9-7-20(8-10-21)12-16(22)14-26-13-15-5-6-17(24-2)18(11-15)25-3;/h5-6,11,16,22H,4,7-10,12-14H2,1-3H3;1H