N-[(E)-(3-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(E)-(3-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(E)-(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-2-(4-benzylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide Traditional Name: N-[(E)-(4-benzoxy-3-methoxy-benzylidene)amino]-2-(4-benzylpiperazin-1-ium-1-yl)acetamide Formula: C28H33N4O3+ MolecularWeight: 473.58662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O3/c1-34-27-18-25(12-13-26(27)35-22-24-10-6-3-7-11-24)19-29-30-28(33)21-32-16-14-31(15-17-32)20-23-8-4-2-5-9-23/h2-13,18-19H,14-17,20-22H2,1H3,(H,30,33)/p+1/b29-19+