ethyl 4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(3-ethoxy-4-methoxy-benzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H27N2O4+ MolecularWeight: 323.40728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)OCC)OC

InChI

InChI=1S/C17H26N2O4/c1-4-22-16-12-14(6-7-15(16)21-3)13-18-8-10-19(11-9-18)17(20)23-5-2/h6-7,12H,4-5,8-11,13H2,1-3H3/p+1