ethyl 2-[2-(4-bromophenyl)hydrazinyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-ylidene]ethanoate

Systemtic Name: ethyl 2-[2-(4-bromophenyl)hydrazinyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-ylidene]ethanoate Openeye Name: ethyl 2-(4-benzylpiperazin-1-ium-1-ylidene)-2-[2-(4-bromophenyl)hydrazino]acetate CAS Name: 2-[(4-bromophenyl)hydrazo]-2-[4-(phenylmethyl)-1-piperazin-1-iumylidene]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylpiperazin-1-ium-1-ylidene)-2-[2-(4-bromophenyl)hydrazinyl]acetate Traditional Name: 2-(4-benzylpiperazin-1-ium-1-ylidene)-2-[N'-(4-bromophenyl)hydrazino]acetic acid ethyl ester Formula: C21H26BrN4O2+ MolecularWeight: 446.36074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=[N+]1CCN(CC1)CC2=CC=CC=C2)NNC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C(=[N+]1CCN(CC1)CC2=CC=CC=C2)NNC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN4O2/c1-2-28-21(27)20(24-23-19-10-8-18(22)9-11-19)26-14-12-25(13-15-26)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,23,27)/p+1