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

Systemtic Name: 1-[(2R)-1-oxidanyl-4-[6-[(phenylmethyl)carbamoylamino]-5H-indol-1-ium-1-yl]butan-2-yl]-2H-imidazol-1-ium-4-carboxamide Openeye Name: 1-[(1R)-3-[6-(benzylcarbamoylamino)-5H-indol-1-ium-1-yl]-1-(hydroxymethyl)propyl]-2H-imidazol-1-ium-4-carboxamide CAS Name: 1-[(2R)-1-hydroxy-4-[6-[[oxo-[(phenylmethyl)amino]methyl]amino]-5H-indol-1-ium-1-yl]butan-2-yl]-2H-imidazol-1-ium-4-carboxamide IUPAC Name: 1-[(2R)-4-[6-(benzylcarbamoylamino)-5H-indol-1-ium-1-yl]-1-hydroxybutan-2-yl]-2H-imidazol-1-ium-4-carboxamide Traditional Name: 1-[(1R)-3-[6-(benzylcarbamoylamino)-5H-indol-1-ium-1-yl]-1-methylol-propyl]-2H-imidazol-1-ium-4-carboxamide Formula: C24H28N6O3+2 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C=C[N+](=C2C=C1NC(=O)NCC3=CC=CC=C3)CCC(CO)[N+]4=CC(=NC4)C(=O)N

Isomeric SMILES

C1C=C2C=C[N+](=C2C=C1NC(=O)NCC3=CC=CC=C3)CC[C@H](CO)[N+]4=CC(=NC4)C(=O)N

InChI

InChI=1S/C24H26N6O3/c25-23(32)21-14-30(16-27-21)20(15-31)9-11-29-10-8-18-6-7-19(12-22(18)29)28-24(33)26-13-17-4-2-1-3-5-17/h1-6,8,10,12,14,20,31H,7,9,11,13,15-16H2,(H2-,25,26,32,33)/p+2/t20-/m1/s1