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

Systemtic Name: N-(4-methoxyphenyl)-4-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide CAS Name: N-(4-methoxyphenyl)-4-[[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: 4-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide Formula: C27H31N4O3+ MolecularWeight: 459.56004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O3/c1-34-25-13-11-24(12-14-25)29-27(33)22-7-9-23(10-8-22)28-26(32)20-31-17-15-30(16-18-31)19-21-5-3-2-4-6-21/h2-14H,15-20H2,1H3,(H,28,32)(H,29,33)/p+1