N-[(2S)-1-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]ethyl]-2-furamide Formula: C28H34N3O4+ MolecularWeight: 476.58726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CO3)[NH+]4CCCCC4

InChI

InChI=1S/C28H33N3O4/c1-34-23-14-12-22(13-15-23)25(31-16-6-3-7-17-31)20-29-27(32)24(19-21-9-4-2-5-10-21)30-28(33)26-11-8-18-35-26/h2,4-5,8-15,18,24-25H,3,6-7,16-17,19-20H2,1H3,(H,29,32)(H,30,33)/p+1/t24-,25-/m0/s1