ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanoate

Systemtic Name: ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanoate Openeye Name: ethyl (2E)-2-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-bromophenyl)hydrazono]acetate CAS Name: (2E)-2-[(4-bromophenyl)hydrazinylidene]-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-bromophenyl)hydrazinylidene]acetate Traditional Name: (2E)-2-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-bromophenyl)hydrazono]acetic acid ethyl ester Formula: C21H26BrN4O2+ MolecularWeight: 446.36074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NNC1=CC=C(C=C1)Br)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C(=N\NC1=CC=C(C=C1)Br)/N2CC[NH+](CC2)CC3=CC=CC=C3

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/h3-11,23H,2,12-16H2,1H3/p+1/b24-20+