1,5-dimethyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-4-oxidanyl-indole-2-carboxamide

Systemtic Name: 1,5-dimethyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-4-oxidanyl-indole-2-carboxamide Openeye Name: 4-hydroxy-1,5-dimethyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]indole-2-carboxamide CAS Name: 4-hydroxy-1,5-dimethyl-N-[3-(3-methyl-1-imidazol-3-iumyl)propyl]-2-indolecarboxamide IUPAC Name: 4-hydroxy-1,5-dimethyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]indole-2-carboxamide Traditional Name: 4-hydroxy-1,5-dimethyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]indole-2-carboxamide Formula: C18H23N4O2+ MolecularWeight: 327.40082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N(C(=C2)C(=O)NCCCN3C=C[N+](=C3)C)C)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N(C(=C2)C(=O)NCCCN3C=C[N+](=C3)C)C)O

InChI

InChI=1S/C18H22N4O2/c1-13-5-6-15-14(17(13)23)11-16(21(15)3)18(24)19-7-4-8-22-10-9-20(2)12-22/h5-6,9-12H,4,7-8H2,1-3H3,(H-,19,23,24)/p+1