N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(4-p-anisylpiperazin-4-ium-1-yl)ethyl]-2-furamide Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C26H29N3O4/c1-32-22-11-9-21(10-12-22)19-28-13-15-29(16-14-28)26(31)23(18-20-6-3-2-4-7-20)27-25(30)24-8-5-17-33-24/h2-12,17,23H,13-16,18-19H2,1H3,(H,27,30)/p+1/t23-/m0/s1