cyclohexylazanium; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: cyclohexylazanium; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: cyclohexylammonium; 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: cyclohexylammonium; 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: cyclohexylazanium; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: cyclohexylammonium; 3-(1H-indol-3-yl)-2-(naphthionylamino)propionic acid Formula: C29H37N4O4S+ MolecularWeight: 537.69348

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O.C1CCC(CC1)[NH3+]

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O.C1CCC(CC1)[NH3+]

InChI

InChI=1S/C23H23N3O4S.C6H13N/c1-26(2)21-11-5-9-18-17(21)8-6-12-22(18)31(29,30)25-20(23(27)28)13-15-14-24-19-10-4-3-7-16(15)19;7-6-4-2-1-3-5-6/h3-12,14,20,24-25H,13H2,1-2H3,(H,27,28);6H,1-5,7H2/p+1