ethyl 4-[3-oxidanylidene-3-(4-propoxyphenyl)propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[3-oxidanylidene-3-(4-propoxyphenyl)propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-oxo-3-(4-propoxyphenyl)propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-oxo-3-(4-propoxyphenyl)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-oxo-3-(4-propoxyphenyl)propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-keto-3-(4-propoxyphenyl)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H29N2O4+ MolecularWeight: 349.44456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CC[NH+]2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CC[NH+]2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C19H28N2O4/c1-3-15-25-17-7-5-16(6-8-17)18(22)9-10-20-11-13-21(14-12-20)19(23)24-4-2/h5-8H,3-4,9-15H2,1-2H3/p+1