2-anthracen-9-ylethyl 4,4-dimethylpiperazin-4-ium-1-carboxylate

Systemtic Name: 2-anthracen-9-ylethyl 4,4-dimethylpiperazin-4-ium-1-carboxylate Openeye Name: 2-(9-anthryl)ethyl 4,4-dimethylpiperazin-4-ium-1-carboxylate CAS Name: 4,4-dimethyl-1-piperazin-4-iumcarboxylic acid 2-(9-anthracenyl)ethyl ester IUPAC Name: 2-anthracen-9-ylethyl 4,4-dimethylpiperazin-4-ium-1-carboxylate Traditional Name: 4,4-dimethylpiperazin-4-ium-1-carboxylic acid 2-(9-anthryl)ethyl ester Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)OCCC2=C3C=CC=CC3=CC4=CC=CC=C42)C

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)OCCC2=C3C=CC=CC3=CC4=CC=CC=C42)C

InChI

InChI=1S/C23H27N2O2/c1-25(2)14-12-24(13-15-25)23(26)27-16-11-22-20-9-5-3-7-18(20)17-19-8-4-6-10-21(19)22/h3-10,17H,11-16H2,1-2H3/q+1