N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide CAS Name: N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=C2)C3=CC(=CC=C3)O

Isomeric SMILES

C/C(=N/NC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=C2)/C3=CC(=CC=C3)O

InChI

InChI=1S/C21H26N4O2/c1-17(19-8-5-9-20(26)14-19)22-23-21(27)16-25-12-10-24(11-13-25)15-18-6-3-2-4-7-18/h2-9,14,26H,10-13,15-16H2,1H3,(H,23,27)/p+1/b22-17-