1-[(2R)-1-oxidanyl-4-[6-(3-phenylpropanoylamino)-5H-indol-1-ium-1-yl]butan-2-yl]-2H-imidazol-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-1-oxidanyl-4-[6-(3-phenylpropanoylamino)-5H-indol-1-ium-1-yl]butan-2-yl]-2H-imidazol-1-ium-4-carboxamide Openeye Name: 1-[(1R)-1-(hydroxymethyl)-3-[6-(3-phenylpropanoylamino)-5H-indol-1-ium-1-yl]propyl]-2H-imidazol-1-ium-4-carboxamide CAS Name: 1-[(2R)-1-hydroxy-4-[6-[(1-oxo-3-phenylpropyl)amino]-5H-indol-1-ium-1-yl]butan-2-yl]-2H-imidazol-1-ium-4-carboxamide IUPAC Name: 1-[(2R)-1-hydroxy-4-[6-(3-phenylpropanoylamino)-5H-indol-1-ium-1-yl]butan-2-yl]-2H-imidazol-1-ium-4-carboxamide Traditional Name: 1-[(1R)-3-[6-(hydrocinnamoylamino)-5H-indol-1-ium-1-yl]-1-methylol-propyl]-2H-imidazol-1-ium-4-carboxamide Formula: C25H29N5O3+2 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C=C[N+](=C2C=C1NC(=O)CCC3=CC=CC=C3)CCC(CO)[N+]4=CC(=NC4)C(=O)N

Isomeric SMILES

C1C=C2C=C[N+](=C2C=C1NC(=O)CCC3=CC=CC=C3)CC[C@H](CO)[N+]4=CC(=NC4)C(=O)N

InChI

InChI=1S/C25H27N5O3/c26-25(33)22-15-30(17-27-22)21(16-31)11-13-29-12-10-19-7-8-20(14-23(19)29)28-24(32)9-6-18-4-2-1-3-5-18/h1-5,7,10,12,14-15,21,31H,6,8-9,11,13,16-17H2,(H-,26,33)/p+2/t21-/m1/s1