2-[4-(phenylmethyl)piperazin-1-ium-1-yl]-N-[(Z)-(4-propoxyphenyl)methylideneamino]ethanamide

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-ium-1-yl]-N-[(Z)-(4-propoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-(4-propoxyphenyl)methyleneamino]acetamide CAS Name: 2-[4-(phenylmethyl)-1-piperazin-1-iumyl]-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-(4-propoxybenzylidene)amino]acetamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=NNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=N\NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2/c1-2-16-29-22-10-8-20(9-11-22)17-24-25-23(28)19-27-14-12-26(13-15-27)18-21-6-4-3-5-7-21/h3-11,17H,2,12-16,18-19H2,1H3,(H,25,28)/p+1/b24-17-