N-[(E)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(E)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-(5-bromo-2-methoxy-phenyl)methyleneamino]acetamide CAS Name: N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-(5-bromo-2-methoxy-benzylidene)amino]acetamide Formula: C21H26BrN4O2+ MolecularWeight: 446.36074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=N/NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25BrN4O2/c1-28-20-8-7-19(22)13-18(20)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+1/b23-14+