N-[(3-bromanyl-4-methoxy-phenyl)methylideneamino]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(3-bromanyl-4-methoxy-phenyl)methylideneamino]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(3-bromo-4-methoxy-phenyl)methyleneamino]acetamide CAS Name: N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(3-bromo-4-methoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(3-bromo-4-methoxy-benzylidene)amino]acetamide Formula: C21H27BrN4O2+2 MolecularWeight: 447.36868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C=NNC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C21H25BrN4O2/c1-28-20-8-7-18(13-19(20)22)14-23-24-21(27)16-26-11-9-25(10-12-26)15-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15-16H2,1H3,(H,24,27)/p+2