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

Systemtic Name: N-[(2S)-1-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[4-[(2-methoxy-5-methylphenyl)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-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-yl]ethyl]-2-furamide Formula: C27H32N3O4+ MolecularWeight: 462.56068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C27H31N3O4/c1-20-10-11-24(33-2)22(17-20)19-29-12-14-30(15-13-29)27(32)23(18-21-7-4-3-5-8-21)28-26(31)25-9-6-16-34-25/h3-11,16-17,23H,12-15,18-19H2,1-2H3,(H,28,31)/p+1/t23-/m0/s1