N-(2-methoxy-5-methyl-phenyl)-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-17-8-9-20(29-2)19(14-17)24-21(27)15-23-22(28)16-25-10-12-26(13-11-25)18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,28)(H,24,27)/p+1