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

Systemtic Name: N-[(2S)-1-[4-[(4-cyanophenyl)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-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-[4-(4-cyanobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-2-furamide Formula: C26H27N4O3+ MolecularWeight: 443.51758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C26H26N4O3/c27-18-21-8-10-22(11-9-21)19-29-12-14-30(15-13-29)26(32)23(17-20-5-2-1-3-6-20)28-25(31)24-7-4-16-33-24/h1-11,16,23H,12-15,17,19H2,(H,28,31)/p+1/t23-/m0/s1