N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-benzyl-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]-2-furamide Formula: C26H28N3O5+ MolecularWeight: 462.51762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C(CC4=CC=CC=C4)NC(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)[C@H](CC4=CC=CC=C4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C26H27N3O5/c30-25(23-7-4-14-32-23)27-21(15-19-5-2-1-3-6-19)26(31)29-12-10-28(11-13-29)17-20-8-9-22-24(16-20)34-18-33-22/h1-9,14,16,21H,10-13,15,17-18H2,(H,27,30)/p+1/t21-/m0/s1