N-(2-methoxyphenyl)-4-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-(2-methoxyphenyl)-4-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(2-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-(2-methoxyphenyl)-4-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]benzamide IUPAC Name: N-(2-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-(2-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c1-33-24-10-6-5-9-23(24)28-26(32)20-11-13-21(14-12-20)27-25(31)19-29-15-17-30(18-16-29)22-7-3-2-4-8-22/h2-14H,15-19H2,1H3,(H,27,31)(H,28,32)/p+1