N-(4-methoxyphenyl)-4-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-(4-methoxyphenyl)-4-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(4-methoxyphenyl)-4-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-(4-methoxyphenyl)-4-[[1-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethyl]amino]benzamide IUPAC Name: N-(4-methoxyphenyl)-4-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-(4-methoxyphenyl)-4-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]benzamide Formula: C27H28N3O3+ MolecularWeight: 442.52952

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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+]3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3/c1-33-25-13-11-24(12-14-25)29-27(32)22-7-9-23(10-8-22)28-26(31)19-30-17-15-21(16-18-30)20-5-3-2-4-6-20/h2-15H,16-19H2,1H3,(H,28,31)(H,29,32)/p+1