ethyl 4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(3,4,5-trimethoxybenzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H27N2O5+ MolecularWeight: 339.40668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C17H26N2O5/c1-5-24-17(20)19-8-6-18(7-9-19)12-13-10-14(21-2)16(23-4)15(11-13)22-3/h10-11H,5-9,12H2,1-4H3/p+1