ethyl 2-[2-[(1,4-dimethylpiperazin-1-ium-1-yl)-phenyl-amino]phenyl]propanoate

Systemtic Name: ethyl 2-[2-[(1,4-dimethylpiperazin-1-ium-1-yl)-phenyl-amino]phenyl]propanoate Openeye Name: ethyl 2-[2-(N-(1,4-dimethylpiperazin-1-ium-1-yl)anilino)phenyl]propanoate CAS Name: 2-[2-(N-(1,4-dimethyl-1-piperazin-1-iumyl)anilino)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(N-(1,4-dimethylpiperazin-1-ium-1-yl)anilino)phenyl]propanoate Traditional Name: 2-[2-(N-(1,4-dimethylpiperazin-1-ium-1-yl)anilino)phenyl]propionic acid ethyl ester Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1=CC=CC=C1N(C2=CC=CC=C2)[N+]3(CCN(CC3)C)C

Isomeric SMILES

CCOC(=O)C(C)C1=CC=CC=C1N(C2=CC=CC=C2)[N+]3(CCN(CC3)C)C

InChI

InChI=1S/C23H32N3O2/c1-5-28-23(27)19(2)21-13-9-10-14-22(21)25(20-11-7-6-8-12-20)26(4)17-15-24(3)16-18-26/h6-14,19H,5,15-18H2,1-4H3/q+1