ethyl 1-[dimethoxy(phenyl)methyl]piperazin-1-ium-1-carboxylate

Systemtic Name: ethyl 1-[dimethoxy(phenyl)methyl]piperazin-1-ium-1-carboxylate Openeye Name: ethyl 1-[dimethoxy(phenyl)methyl]piperazin-1-ium-1-carboxylate CAS Name: 1-[dimethoxy(phenyl)methyl]-1-piperazin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[dimethoxy(phenyl)methyl]piperazin-1-ium-1-carboxylate Traditional Name: 1-[dimethoxy(phenyl)methyl]piperazin-1-ium-1-carboxylic acid ethyl ester Formula: C16H25N2O4+ MolecularWeight: 309.3807

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCNCC1)C(C2=CC=CC=C2)(OC)OC

Isomeric SMILES

CCOC(=O)[N+]1(CCNCC1)C(C2=CC=CC=C2)(OC)OC

InChI

InChI=1S/C16H25N2O4/c1-4-22-15(19)18(12-10-17-11-13-18)16(20-2,21-3)14-8-6-5-7-9-14/h5-9,17H,4,10-13H2,1-3H3/q+1